[4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl] N-(2,3-dihydro-1H-inden-5-yl)carbamate

C19H21N7O2S — CID 122444105

IUPAC[4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl] N-(2,3-dihydro-1H-inden-5-yl)carbamate
SMILESNc1nc(N2CCN(OC(=O)Nc3ccc4c(c3)CCC4)CC2)c2ncsc2n1
InChIInChI=1S/C19H21N7O2S/c20-18-23-16(15-17(24-18)29-11-21-15)25-6-8-26(9-7-25)28-19(27)22-14-5-4-12-2-1-3-13(12)10-14/h4-5,10-11H,1-3,6-9H2,(H,22,27)(H2,20,23,24)
InChIKeySGFXRHDUAWJPJE-UHFFFAOYSA-N
MW411.49 g/mol
LogP2.44
Rot. Bonds3

About [4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl] N-(2,3-dihydro-1H-inden-5-yl)carbamate

[4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl] N-(2,3-dihydro-1H-inden-5-yl)carbamate (PubChem CID 122444105) has the molecular formula C19H21N7O2S and a molecular weight of 411.49 g/mol. Its IUPAC name is [4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl] N-(2,3-dihydro-1H-inden-5-yl)carbamate.

Molecular Properties

Compound Name[4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl] N-(2,3-dihydro-1H-inden-5-yl)carbamate
PubChem CID122444105
Molecular FormulaC19H21N7O2S
Molecular Weight411.49 g/mol
Exact Mass411.15
IUPAC Name[4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl] N-(2,3-dihydro-1H-inden-5-yl)carbamate
SMILESNc1nc(N2CCN(OC(=O)Nc3ccc4c(c3)CCC4)CC2)c2ncsc2n1
InChIInChI=1S/C19H21N7O2S/c20-18-23-16(15-17(24-18)29-11-21-15)25-6-8-26(9-7-25)28-19(27)22-14-5-4-12-2-1-3-13(12)10-14/h4-5,10-11H,1-3,6-9H2,(H,22,27)(H2,20,23,24)
InChIKeySGFXRHDUAWJPJE-UHFFFAOYSA-N
XLogP2.44
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.49
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze [4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl] N-(2,3-dihydro-1H-inden-5-yl)carbamate 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

[4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl] N-(6-methoxy-3-pyridinyl)carbamate
CID 122444068
[4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl] N-[2-(piperidin-1-ylmethyl)-3H-benzimidazol-5-yl]carbamate
CID 122444091
4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-quinoxalin-6-ylpiperazine-1-carboxamide
CID 71572886
4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 122444097
[(3R)-4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-3-methylpiperazin-1-yl] N-(4-methoxy-2-methylphenyl)carbamate
CID 122444202
[4-[[4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-3-methylpiperazine-1-carbonyl]amino]phenyl] benzoate
CID 122443947
4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 71573129
[4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 71572316
4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(4-ethylphenyl)-3-methylpiperazine-1-carboxamide
CID 122443897
(3S)-4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-3-methyl-N-(3-methylphenyl)piperazine-1-carboxamide
CID 122443883
4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-3-methyl-N-(4-nitrophenyl)piperazine-1-carboxamide
CID 78116677
(3S)-4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-3-methyl-N-pyridin-2-ylpiperazine-1-carboxamide
CID 122444042

Frequently Asked Questions

What is the IUPAC name of [4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl] N-(2,3-dihydro-1H-inden-5-yl)carbamate?
The IUPAC name of [4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl] N-(2,3-dihydro-1H-inden-5-yl)carbamate (CID 122444105) is [4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl] N-(2,3-dihydro-1H-inden-5-yl)carbamate.
What is the SMILES notation for [4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl] N-(2,3-dihydro-1H-inden-5-yl)carbamate?
The canonical SMILES for [4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl] N-(2,3-dihydro-1H-inden-5-yl)carbamate is Nc1nc(N2CCN(OC(=O)Nc3ccc4c(c3)CCC4)CC2)c2ncsc2n1.
What is the InChIKey of [4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl] N-(2,3-dihydro-1H-inden-5-yl)carbamate?
The InChIKey is SGFXRHDUAWJPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O2S/c20-18-23-16(15-17(24-18)29-11-21-15)25-6-8-26(9-7-25)28-19(27)22-14-5-4-12-2-1-3-13(12)10-14/h4-5,10-11H,1-3,6-9H2,(H,22,27)(H2,20,23,24).
What are the key properties of [4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl] N-(2,3-dihydro-1H-inden-5-yl)carbamate?
[4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl] N-(2,3-dihydro-1H-inden-5-yl)carbamate has a molecular weight of 411.49 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl] N-(2,3-dihydro-1H-inden-5-yl)carbamate is sourced from PubChem (CID 122444105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).