1-[4-(3,5-diaminopiperidin-1-yl)-6-[(4-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]piperidine-3,5-diamine

C17H29N11S — CID 21104202

IUPAC1-[4-(3,5-diaminopiperidin-1-yl)-6-[(4-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]piperidine-3,5-diamine
SMILESCc1csc(Nc2nc(N3CC(N)CC(N)C3)nc(N3CC(N)CC(N)C3)n2)n1
InChIInChI=1S/C17H29N11S/c1-9-8-29-17(22-9)25-14-23-15(27-4-10(18)2-11(19)5-27)26-16(24-14)28-6-12(20)3-13(21)7-28/h8,10-13H,2-7,18-21H2,1H3,(H,22,23,24,25,26)
InChIKeyHSPGPUAUKLHIME-UHFFFAOYSA-N
MW419.56 g/mol
LogP-0.89
Rot. Bonds4

About 1-[4-(3,5-diaminopiperidin-1-yl)-6-[(4-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]piperidine-3,5-diamine

1-[4-(3,5-diaminopiperidin-1-yl)-6-[(4-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]piperidine-3,5-diamine (PubChem CID 21104202) has the molecular formula C17H29N11S and a molecular weight of 419.56 g/mol. Its IUPAC name is 1-[4-(3,5-diaminopiperidin-1-yl)-6-[(4-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]piperidine-3,5-diamine.

Molecular Properties

Compound Name1-[4-(3,5-diaminopiperidin-1-yl)-6-[(4-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]piperidine-3,5-diamine
PubChem CID21104202
Molecular FormulaC17H29N11S
Molecular Weight419.56 g/mol
Exact Mass419.23
IUPAC Name1-[4-(3,5-diaminopiperidin-1-yl)-6-[(4-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]piperidine-3,5-diamine
SMILESCc1csc(Nc2nc(N3CC(N)CC(N)C3)nc(N3CC(N)CC(N)C3)n2)n1
InChIInChI=1S/C17H29N11S/c1-9-8-29-17(22-9)25-14-23-15(27-4-10(18)2-11(19)5-27)26-16(24-14)28-6-12(20)3-13(21)7-28/h8,10-13H,2-7,18-21H2,1H3,(H,22,23,24,25,26)
InChIKeyHSPGPUAUKLHIME-UHFFFAOYSA-N
XLogP-0.89
TPSA174.15 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.56
LogP ≤ 5-0.89
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Analyze 1-[4-(3,5-diaminopiperidin-1-yl)-6-[(4-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]piperidine-3,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,5R)-1-[4-[(3R,5R)-3,5-diaminopiperidin-1-yl]-6-hydrazinyl-1,3,5-triazin-2-yl]piperidine-3,5-diamine
CID 140519096
1-[4-(3,5-diaminopiperidin-1-yl)-6-[2-(3-methylphenyl)hydrazinyl]-1,3,5-triazin-2-yl]piperidine-3,5-diamine
CID 21104147
(3R,5S)-1-[4-[(3S,5R)-3,5-diaminopiperidin-1-yl]-6-[(4-methylphenyl)methylamino]-1,3,5-triazin-2-yl]piperidine-3,5-diamine
CID 58949013
(3R,5S)-1-[4-[(3R,5S)-3,5-diaminopiperidin-1-yl]-6-(3,4-dichloroanilino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine;hydrochloride
CID 169426364
1-[4-(4-butan-2-ylanilino)-6-(3,5-diaminopiperidin-1-yl)-1,3,5-triazin-2-yl]piperidine-3,5-diamine
CID 21104211
1-[4-(3,5-diaminopiperidin-1-yl)-6-(2,3-dihydro-1H-inden-5-ylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine
CID 21104268
6-methylsulfanyl-2-N-(4-methyl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine
CID 13033517
methyl 2-[[4,6-bis[(3S,5R)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]amino]benzoate
CID 58865182
4-[[4,6-bis(3,5-diaminopiperidin-1-yl)-1,3,5-triazin-2-yl]amino]-N-phenylbenzamide
CID 21104209
(3R,5S)-1-[4-[(3R,5S)-3,5-diaminopiperidin-1-yl]-6-[2-[4-(trifluoromethyl)phenyl]hydrazinyl]-1,3,5-triazin-2-yl]piperidine-3,5-diamine;hydrochloride
CID 162317426
(3R,5S)-1-[4-(3-aminopropylamino)-6-[(3R,5S)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]piperidine-3,5-diamine
CID 58865845
6-[[4,6-bis(3,5-diaminopiperidin-1-yl)-1,3,5-triazin-2-yl]amino]pyridine-3-carboxamide
CID 21104225

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-diaminopiperidin-1-yl)-6-[(4-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]piperidine-3,5-diamine?
The IUPAC name of 1-[4-(3,5-diaminopiperidin-1-yl)-6-[(4-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]piperidine-3,5-diamine (CID 21104202) is 1-[4-(3,5-diaminopiperidin-1-yl)-6-[(4-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]piperidine-3,5-diamine.
What is the SMILES notation for 1-[4-(3,5-diaminopiperidin-1-yl)-6-[(4-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]piperidine-3,5-diamine?
The canonical SMILES for 1-[4-(3,5-diaminopiperidin-1-yl)-6-[(4-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]piperidine-3,5-diamine is Cc1csc(Nc2nc(N3CC(N)CC(N)C3)nc(N3CC(N)CC(N)C3)n2)n1.
What is the InChIKey of 1-[4-(3,5-diaminopiperidin-1-yl)-6-[(4-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]piperidine-3,5-diamine?
The InChIKey is HSPGPUAUKLHIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N11S/c1-9-8-29-17(22-9)25-14-23-15(27-4-10(18)2-11(19)5-27)26-16(24-14)28-6-12(20)3-13(21)7-28/h8,10-13H,2-7,18-21H2,1H3,(H,22,23,24,25,26).
What are the key properties of 1-[4-(3,5-diaminopiperidin-1-yl)-6-[(4-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]piperidine-3,5-diamine?
1-[4-(3,5-diaminopiperidin-1-yl)-6-[(4-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]piperidine-3,5-diamine has a molecular weight of 419.56 g/mol, XLogP of -0.89, 4 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-diaminopiperidin-1-yl)-6-[(4-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]piperidine-3,5-diamine is sourced from PubChem (CID 21104202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).