3-amino-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)pyrazine-2-carboxamide

C13H15N5OS — CID 17456714

IUPAC3-amino-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)pyrazine-2-carboxamide
SMILESNc1nccnc1C(=O)Nc1nc2c(s1)CCCCC2
InChIInChI=1S/C13H15N5OS/c14-11-10(15-6-7-16-11)12(19)18-13-17-8-4-2-1-3-5-9(8)20-13/h6-7H,1-5H2,(H2,14,16)(H,17,18,19)
InChIKeyIFDYIGDTDFLVRI-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.04
Rot. Bonds2

About 3-amino-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)pyrazine-2-carboxamide

3-amino-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)pyrazine-2-carboxamide (PubChem CID 17456714) has the molecular formula C13H15N5OS and a molecular weight of 289.36 g/mol. Its IUPAC name is 3-amino-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)pyrazine-2-carboxamide
PubChem CID17456714
Molecular FormulaC13H15N5OS
Molecular Weight289.36 g/mol
Exact Mass289.10
IUPAC Name3-amino-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)pyrazine-2-carboxamide
SMILESNc1nccnc1C(=O)Nc1nc2c(s1)CCCCC2
InChIInChI=1S/C13H15N5OS/c14-11-10(15-6-7-16-11)12(19)18-13-17-8-4-2-1-3-5-9(8)20-13/h6-7H,1-5H2,(H2,14,16)(H,17,18,19)
InChIKeyIFDYIGDTDFLVRI-UHFFFAOYSA-N
XLogP2.04
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)acetamide
CID 930096
2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 63615433
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 2439718
6-amino-5-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 62161403
4,6-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrimidine-2-carboxamide
CID 146080268
4-(aminomethyl)-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)benzamide;hydrochloride
CID 119300560
5-amino-2-methyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide
CID 120619567
5-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide
CID 107241316
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,2-oxazole-5-carboxamide
CID 18587212
N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 112807865
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide
CID 75489815
2,3-difluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-4-carboxamide
CID 105381051

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)pyrazine-2-carboxamide (CID 17456714) is 3-amino-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)pyrazine-2-carboxamide is Nc1nccnc1C(=O)Nc1nc2c(s1)CCCCC2.
What is the InChIKey of 3-amino-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)pyrazine-2-carboxamide?
The InChIKey is IFDYIGDTDFLVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5OS/c14-11-10(15-6-7-16-11)12(19)18-13-17-8-4-2-1-3-5-9(8)20-13/h6-7H,1-5H2,(H2,14,16)(H,17,18,19).
What are the key properties of 3-amino-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)pyrazine-2-carboxamide?
3-amino-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)pyrazine-2-carboxamide has a molecular weight of 289.36 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 17456714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).