N-[(2S)-6-azaspiro[2.5]octan-2-yl]-5-chloro-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide

C17H21ClN4OS — CID 129475917

IUPACN-[(2S)-6-azaspiro[2.5]octan-2-yl]-5-chloro-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide
SMILESCn1ccnc1CN(C(=O)c1ccc(Cl)s1)[C@H]1CC12CCNCC2
InChIInChI=1S/C17H21ClN4OS/c1-21-9-8-20-15(21)11-22(16(23)12-2-3-14(18)24-12)13-10-17(13)4-6-19-7-5-17/h2-3,8-9,13,19H,4-7,10-11H2,1H3/t13-/m0/s1
InChIKeyNFBBHPLLCMVRJC-ZDUSSCGKSA-N
MW364.90 g/mol
LogP2.92
Rot. Bonds4

About N-[(2S)-6-azaspiro[2.5]octan-2-yl]-5-chloro-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide

N-[(2S)-6-azaspiro[2.5]octan-2-yl]-5-chloro-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide (PubChem CID 129475917) has the molecular formula C17H21ClN4OS and a molecular weight of 364.90 g/mol. Its IUPAC name is N-[(2S)-6-azaspiro[2.5]octan-2-yl]-5-chloro-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-6-azaspiro[2.5]octan-2-yl]-5-chloro-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide
PubChem CID129475917
Molecular FormulaC17H21ClN4OS
Molecular Weight364.90 g/mol
Exact Mass364.11
IUPAC NameN-[(2S)-6-azaspiro[2.5]octan-2-yl]-5-chloro-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide
SMILESCn1ccnc1CN(C(=O)c1ccc(Cl)s1)[C@H]1CC12CCNCC2
InChIInChI=1S/C17H21ClN4OS/c1-21-9-8-20-15(21)11-22(16(23)12-2-3-14(18)24-12)13-10-17(13)4-6-19-7-5-17/h2-3,8-9,13,19H,4-7,10-11H2,1H3/t13-/m0/s1
InChIKeyNFBBHPLLCMVRJC-ZDUSSCGKSA-N
XLogP2.92
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.90
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-6-azaspiro[2.5]octan-2-yl]-5-chloro-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-6-azaspiro[2.5]octan-2-yl]-5-chloro-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of N-[(2S)-6-azaspiro[2.5]octan-2-yl]-5-chloro-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide (CID 129475917) is N-[(2S)-6-azaspiro[2.5]octan-2-yl]-5-chloro-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(2S)-6-azaspiro[2.5]octan-2-yl]-5-chloro-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(2S)-6-azaspiro[2.5]octan-2-yl]-5-chloro-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide is Cn1ccnc1CN(C(=O)c1ccc(Cl)s1)[C@H]1CC12CCNCC2.
What is the InChIKey of N-[(2S)-6-azaspiro[2.5]octan-2-yl]-5-chloro-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide?
The InChIKey is NFBBHPLLCMVRJC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21ClN4OS/c1-21-9-8-20-15(21)11-22(16(23)12-2-3-14(18)24-12)13-10-17(13)4-6-19-7-5-17/h2-3,8-9,13,19H,4-7,10-11H2,1H3/t13-/m0/s1.
What are the key properties of N-[(2S)-6-azaspiro[2.5]octan-2-yl]-5-chloro-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide?
N-[(2S)-6-azaspiro[2.5]octan-2-yl]-5-chloro-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide has a molecular weight of 364.90 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-6-azaspiro[2.5]octan-2-yl]-5-chloro-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 129475917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).