5-[2-[(4-aminocyclohexyl)amino]cyclopropyl]-2-methyl-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide

C19H27N5OS — CID 118432853

IUPAC5-[2-[(4-aminocyclohexyl)amino]cyclopropyl]-2-methyl-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide
SMILESCc1sc(C2CC2NC2CCC(N)CC2)cc1C(=O)Nc1cnn(C)c1
InChIInChI=1S/C19H27N5OS/c1-11-15(19(25)23-14-9-21-24(2)10-14)8-18(26-11)16-7-17(16)22-13-5-3-12(20)4-6-13/h8-10,12-13,16-17,22H,3-7,20H2,1-2H3,(H,23,25)
InChIKeyDSOIESCCKFXAJK-UHFFFAOYSA-N
MW373.53 g/mol
LogP2.76
Rot. Bonds5

About 5-[2-[(4-aminocyclohexyl)amino]cyclopropyl]-2-methyl-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide

5-[2-[(4-aminocyclohexyl)amino]cyclopropyl]-2-methyl-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide (PubChem CID 118432853) has the molecular formula C19H27N5OS and a molecular weight of 373.53 g/mol. Its IUPAC name is 5-[2-[(4-aminocyclohexyl)amino]cyclopropyl]-2-methyl-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[2-[(4-aminocyclohexyl)amino]cyclopropyl]-2-methyl-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide
PubChem CID118432853
Molecular FormulaC19H27N5OS
Molecular Weight373.53 g/mol
Exact Mass373.19
IUPAC Name5-[2-[(4-aminocyclohexyl)amino]cyclopropyl]-2-methyl-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide
SMILESCc1sc(C2CC2NC2CCC(N)CC2)cc1C(=O)Nc1cnn(C)c1
InChIInChI=1S/C19H27N5OS/c1-11-15(19(25)23-14-9-21-24(2)10-14)8-18(26-11)16-7-17(16)22-13-5-3-12(20)4-6-13/h8-10,12-13,16-17,22H,3-7,20H2,1-2H3,(H,23,25)
InChIKeyDSOIESCCKFXAJK-UHFFFAOYSA-N
XLogP2.76
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.53
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-[2-[(4-aminocyclohexyl)amino]cyclopropyl]-2-methyl-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide with MolForge

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Related Compounds

5-[2-[(4-aminocyclohexyl)amino]cyclopropyl]-2-methyl-N-(2-methyl-1,3-thiazol-5-yl)thiophene-3-carboxamide
CID 118433151
2,5-dimethyl-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide
CID 32605378
4-[(1S,2R)-2-(cyclobutylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide
CID 118432712
4-[2-(cyclobutylamino)cyclopropyl]-N-(1-ethylpyrazol-4-yl)-5-methylthiophene-2-carboxamide
CID 118433220
2-bromo-5-methyl-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 58464949
2-methyl-4-(methylamino)-N-(1-methylpyrazol-4-yl)benzamide
CID 113400170
4-hydrazinyl-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 81256149
4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)benzamide
CID 118304398
[2-[3-[(1-methylpyrazol-4-yl)carbamoyl]phenyl]cyclopropyl]carbamic acid
CID 118305020
5-amino-2,3-dichloro-N-(1-methylpyrazol-4-yl)benzamide
CID 107183626
5-amino-2-bromo-4-fluoro-N-(1-methylpyrazol-4-yl)benzamide
CID 62816464
5-(2-aminocyclopropyl)-N-(4,4-difluorocyclohexyl)-2-methylthiophene-3-carboxamide;hydrochloride
CID 118432737

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(4-aminocyclohexyl)amino]cyclopropyl]-2-methyl-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide?
The IUPAC name of 5-[2-[(4-aminocyclohexyl)amino]cyclopropyl]-2-methyl-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide (CID 118432853) is 5-[2-[(4-aminocyclohexyl)amino]cyclopropyl]-2-methyl-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide.
What is the SMILES notation for 5-[2-[(4-aminocyclohexyl)amino]cyclopropyl]-2-methyl-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide?
The canonical SMILES for 5-[2-[(4-aminocyclohexyl)amino]cyclopropyl]-2-methyl-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide is Cc1sc(C2CC2NC2CCC(N)CC2)cc1C(=O)Nc1cnn(C)c1.
What is the InChIKey of 5-[2-[(4-aminocyclohexyl)amino]cyclopropyl]-2-methyl-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide?
The InChIKey is DSOIESCCKFXAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5OS/c1-11-15(19(25)23-14-9-21-24(2)10-14)8-18(26-11)16-7-17(16)22-13-5-3-12(20)4-6-13/h8-10,12-13,16-17,22H,3-7,20H2,1-2H3,(H,23,25).
What are the key properties of 5-[2-[(4-aminocyclohexyl)amino]cyclopropyl]-2-methyl-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide?
5-[2-[(4-aminocyclohexyl)amino]cyclopropyl]-2-methyl-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide has a molecular weight of 373.53 g/mol, XLogP of 2.76, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(4-aminocyclohexyl)amino]cyclopropyl]-2-methyl-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide is sourced from PubChem (CID 118432853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).