N-tert-butyl-2-[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetamide

C18H29N5O2S — CID 90529559

IUPACN-tert-butyl-2-[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetamide
SMILESCC(C)(C)NC(=O)CN1CCc2nc(NC(=O)NC3CCCC3)sc2C1
InChIInChI=1S/C18H29N5O2S/c1-18(2,3)22-15(24)11-23-9-8-13-14(10-23)26-17(20-13)21-16(25)19-12-6-4-5-7-12/h12H,4-11H2,1-3H3,(H,22,24)(H2,19,20,21,25)
InChIKeySJJJSOAZWNTCPF-UHFFFAOYSA-N
MW379.53 g/mol
LogP2.48
Rot. Bonds4

About N-tert-butyl-2-[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetamide

N-tert-butyl-2-[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetamide (PubChem CID 90529559) has the molecular formula C18H29N5O2S and a molecular weight of 379.53 g/mol. Its IUPAC name is N-tert-butyl-2-[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetamide
PubChem CID90529559
Molecular FormulaC18H29N5O2S
Molecular Weight379.53 g/mol
Exact Mass379.20
IUPAC NameN-tert-butyl-2-[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetamide
SMILESCC(C)(C)NC(=O)CN1CCc2nc(NC(=O)NC3CCCC3)sc2C1
InChIInChI=1S/C18H29N5O2S/c1-18(2,3)22-15(24)11-23-9-8-13-14(10-23)26-17(20-13)21-16(25)19-12-6-4-5-7-12/h12H,4-11H2,1-3H3,(H,22,24)(H2,19,20,21,25)
InChIKeySJJJSOAZWNTCPF-UHFFFAOYSA-N
XLogP2.48
TPSA86.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-tert-butyl-2-[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetamide 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

2-[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-N-propylacetamide
CID 90529556
2-[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-N-(2-methoxyethyl)acetamide
CID 90529561
2-[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-N-(2,4-dimethylphenyl)acetamide
CID 90529497
N-(3-chlorophenyl)-2-[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetamide
CID 90529505
2-[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 90529523
1-(5-acetyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-cyclopentylurea
CID 90529287
1-[5-[(4-chlorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-cyclopentylurea
CID 90529575
N-[5-[2-(cyclopropylamino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide
CID 90531346
2-[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-N-(3-nitrophenyl)acetamide
CID 90529527
1-cyclopentyl-3-[5-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
CID 90529572
N-[5-[2-(tert-butylamino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide
CID 90526684
1-cyclopentyl-3-[5-[(E)-3-phenylprop-2-enyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
CID 90529478

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetamide?
The IUPAC name of N-tert-butyl-2-[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetamide (CID 90529559) is N-tert-butyl-2-[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetamide?
The canonical SMILES for N-tert-butyl-2-[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetamide is CC(C)(C)NC(=O)CN1CCc2nc(NC(=O)NC3CCCC3)sc2C1.
What is the InChIKey of N-tert-butyl-2-[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetamide?
The InChIKey is SJJJSOAZWNTCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2S/c1-18(2,3)22-15(24)11-23-9-8-13-14(10-23)26-17(20-13)21-16(25)19-12-6-4-5-7-12/h12H,4-11H2,1-3H3,(H,22,24)(H2,19,20,21,25).
What are the key properties of N-tert-butyl-2-[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetamide?
N-tert-butyl-2-[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetamide has a molecular weight of 379.53 g/mol, XLogP of 2.48, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetamide is sourced from PubChem (CID 90529559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).