N-cyclopropyl-N-(piperidin-3-ylmethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine

C14H24N4S — CID 106643898

IUPACN-cyclopropyl-N-(piperidin-3-ylmethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)c1nsc(N(CC2CCCNC2)C2CC2)n1
InChIInChI=1S/C14H24N4S/c1-10(2)13-16-14(19-17-13)18(12-5-6-12)9-11-4-3-7-15-8-11/h10-12,15H,3-9H2,1-2H3
InChIKeyDHTLMVVQFIACKO-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.63
Rot. Bonds5

About N-cyclopropyl-N-(piperidin-3-ylmethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine

N-cyclopropyl-N-(piperidin-3-ylmethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 106643898) has the molecular formula C14H24N4S and a molecular weight of 280.44 g/mol. Its IUPAC name is N-cyclopropyl-N-(piperidin-3-ylmethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-cyclopropyl-N-(piperidin-3-ylmethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID106643898
Molecular FormulaC14H24N4S
Molecular Weight280.44 g/mol
Exact Mass280.17
IUPAC NameN-cyclopropyl-N-(piperidin-3-ylmethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)c1nsc(N(CC2CCCNC2)C2CC2)n1
InChIInChI=1S/C14H24N4S/c1-10(2)13-16-14(19-17-13)18(12-5-6-12)9-11-4-3-7-15-8-11/h10-12,15H,3-9H2,1-2H3
InChIKeyDHTLMVVQFIACKO-UHFFFAOYSA-N
XLogP2.63
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclopentyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethanol
CID 65275448
N-cyclopropyl-2-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
CID 106643689
6-methyl-N-(piperidin-3-ylmethyl)-N,2-di(propan-2-yl)pyrimidin-4-amine
CID 106643134
N-(piperidin-3-ylmethyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine
CID 106637462
3-tert-butyl-N-(piperidin-3-ylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine
CID 106644173
2-[cyclopropyl(piperidin-3-ylmethyl)amino]-6-methylpyridine-4-carbonitrile
CID 106643778
6-[cyclopropyl(piperidin-3-ylmethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 106643837
N-cyclopropyl-N-(piperidin-3-ylmethyl)-1-propan-2-ylpiperidin-4-amine
CID 106624960
6-methyl-N-(piperidin-3-ylmethyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 106644116
4-[cyclopropyl(piperidin-3-ylmethyl)amino]-2,6-dimethylpyridine-3-carbonitrile
CID 106643759
N-(piperidin-3-ylmethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]cyclopropanamine
CID 106624840
2-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine;hydrochloride
CID 119930509

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(piperidin-3-ylmethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-cyclopropyl-N-(piperidin-3-ylmethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine (CID 106643898) is N-cyclopropyl-N-(piperidin-3-ylmethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-cyclopropyl-N-(piperidin-3-ylmethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-cyclopropyl-N-(piperidin-3-ylmethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine is CC(C)c1nsc(N(CC2CCCNC2)C2CC2)n1.
What is the InChIKey of N-cyclopropyl-N-(piperidin-3-ylmethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is DHTLMVVQFIACKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4S/c1-10(2)13-16-14(19-17-13)18(12-5-6-12)9-11-4-3-7-15-8-11/h10-12,15H,3-9H2,1-2H3.
What are the key properties of N-cyclopropyl-N-(piperidin-3-ylmethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
N-cyclopropyl-N-(piperidin-3-ylmethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 280.44 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(piperidin-3-ylmethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 106643898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).