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

C19H26N4OS2 — CID 118433151

IUPAC5-[2-[(4-aminocyclohexyl)amino]cyclopropyl]-2-methyl-N-(2-methyl-1,3-thiazol-5-yl)thiophene-3-carboxamide
SMILESCc1ncc(NC(=O)c2cc(C3CC3NC3CCC(N)CC3)sc2C)s1
InChIInChI=1S/C19H26N4OS2/c1-10-14(19(24)23-18-9-21-11(2)26-18)8-17(25-10)15-7-16(15)22-13-5-3-12(20)4-6-13/h8-9,12-13,15-16,22H,3-7,20H2,1-2H3,(H,23,24)
InChIKeyNHPKYOCLDPUCKN-UHFFFAOYSA-N
MW390.58 g/mol
LogP3.79
Rot. Bonds5

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

5-[2-[(4-aminocyclohexyl)amino]cyclopropyl]-2-methyl-N-(2-methyl-1,3-thiazol-5-yl)thiophene-3-carboxamide (PubChem CID 118433151) has the molecular formula C19H26N4OS2 and a molecular weight of 390.58 g/mol. Its IUPAC name is 5-[2-[(4-aminocyclohexyl)amino]cyclopropyl]-2-methyl-N-(2-methyl-1,3-thiazol-5-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[2-[(4-aminocyclohexyl)amino]cyclopropyl]-2-methyl-N-(2-methyl-1,3-thiazol-5-yl)thiophene-3-carboxamide
PubChem CID118433151
Molecular FormulaC19H26N4OS2
Molecular Weight390.58 g/mol
Exact Mass390.15
IUPAC Name5-[2-[(4-aminocyclohexyl)amino]cyclopropyl]-2-methyl-N-(2-methyl-1,3-thiazol-5-yl)thiophene-3-carboxamide
SMILESCc1ncc(NC(=O)c2cc(C3CC3NC3CCC(N)CC3)sc2C)s1
InChIInChI=1S/C19H26N4OS2/c1-10-14(19(24)23-18-9-21-11(2)26-18)8-17(25-10)15-7-16(15)22-13-5-3-12(20)4-6-13/h8-9,12-13,15-16,22H,3-7,20H2,1-2H3,(H,23,24)
InChIKeyNHPKYOCLDPUCKN-UHFFFAOYSA-N
XLogP3.79
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.58
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(4-aminocyclohexyl)amino]cyclopropyl]-2-methyl-N-(2-methyl-1,3-thiazol-5-yl)thiophene-3-carboxamide?
The IUPAC name of 5-[2-[(4-aminocyclohexyl)amino]cyclopropyl]-2-methyl-N-(2-methyl-1,3-thiazol-5-yl)thiophene-3-carboxamide (CID 118433151) is 5-[2-[(4-aminocyclohexyl)amino]cyclopropyl]-2-methyl-N-(2-methyl-1,3-thiazol-5-yl)thiophene-3-carboxamide.
What is the SMILES notation for 5-[2-[(4-aminocyclohexyl)amino]cyclopropyl]-2-methyl-N-(2-methyl-1,3-thiazol-5-yl)thiophene-3-carboxamide?
The canonical SMILES for 5-[2-[(4-aminocyclohexyl)amino]cyclopropyl]-2-methyl-N-(2-methyl-1,3-thiazol-5-yl)thiophene-3-carboxamide is Cc1ncc(NC(=O)c2cc(C3CC3NC3CCC(N)CC3)sc2C)s1.
What is the InChIKey of 5-[2-[(4-aminocyclohexyl)amino]cyclopropyl]-2-methyl-N-(2-methyl-1,3-thiazol-5-yl)thiophene-3-carboxamide?
The InChIKey is NHPKYOCLDPUCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4OS2/c1-10-14(19(24)23-18-9-21-11(2)26-18)8-17(25-10)15-7-16(15)22-13-5-3-12(20)4-6-13/h8-9,12-13,15-16,22H,3-7,20H2,1-2H3,(H,23,24).
What are the key properties of 5-[2-[(4-aminocyclohexyl)amino]cyclopropyl]-2-methyl-N-(2-methyl-1,3-thiazol-5-yl)thiophene-3-carboxamide?
5-[2-[(4-aminocyclohexyl)amino]cyclopropyl]-2-methyl-N-(2-methyl-1,3-thiazol-5-yl)thiophene-3-carboxamide has a molecular weight of 390.58 g/mol, XLogP of 3.79, 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-(2-methyl-1,3-thiazol-5-yl)thiophene-3-carboxamide is sourced from PubChem (CID 118433151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).