N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-1-aminocyclohexane-1-carboxamide;hydrochloride

C18H25ClN4O2S2 — CID 120589150

IUPACN-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-1-aminocyclohexane-1-carboxamide;hydrochloride
SMILESCC(=O)NCc1ccc(-c2nc(NC(=O)C3(N)CCCCC3)sc2C)s1.Cl
InChIInChI=1S/C18H24N4O2S2.ClH/c1-11-15(14-7-6-13(26-14)10-20-12(2)23)21-17(25-11)22-16(24)18(19)8-4-3-5-9-18;/h6-7H,3-5,8-10,19H2,1-2H3,(H,20,23)(H,21,22,24);1H
InChIKeyBDDRBQQKDNHQRX-UHFFFAOYSA-N
MW429.01 g/mol
LogP3.84
Rot. Bonds5

About N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-1-aminocyclohexane-1-carboxamide;hydrochloride

N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-1-aminocyclohexane-1-carboxamide;hydrochloride (PubChem CID 120589150) has the molecular formula C18H25ClN4O2S2 and a molecular weight of 429.01 g/mol. Its IUPAC name is N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-1-aminocyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-1-aminocyclohexane-1-carboxamide;hydrochloride
PubChem CID120589150
Molecular FormulaC18H25ClN4O2S2
Molecular Weight429.01 g/mol
Exact Mass428.11
IUPAC NameN-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-1-aminocyclohexane-1-carboxamide;hydrochloride
SMILESCC(=O)NCc1ccc(-c2nc(NC(=O)C3(N)CCCCC3)sc2C)s1.Cl
InChIInChI=1S/C18H24N4O2S2.ClH/c1-11-15(14-7-6-13(26-14)10-20-12(2)23)21-17(25-11)22-16(24)18(19)8-4-3-5-9-18;/h6-7H,3-5,8-10,19H2,1-2H3,(H,20,23)(H,21,22,24);1H
InChIKeyBDDRBQQKDNHQRX-UHFFFAOYSA-N
XLogP3.84
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.01
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide;hydrochloride
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N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
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N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-1-methyl-2-oxopyridine-4-carboxamide
CID 55596873
5-N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 43062462
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CID 37389525
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide
CID 112818737
3-acetamido-N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-3-(4-chlorophenyl)propanamide
CID 55600225
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 30874724
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 30874673

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-1-aminocyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-1-aminocyclohexane-1-carboxamide;hydrochloride (CID 120589150) is N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-1-aminocyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-1-aminocyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-1-aminocyclohexane-1-carboxamide;hydrochloride is CC(=O)NCc1ccc(-c2nc(NC(=O)C3(N)CCCCC3)sc2C)s1.Cl.
What is the InChIKey of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-1-aminocyclohexane-1-carboxamide;hydrochloride?
The InChIKey is BDDRBQQKDNHQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S2.ClH/c1-11-15(14-7-6-13(26-14)10-20-12(2)23)21-17(25-11)22-16(24)18(19)8-4-3-5-9-18;/h6-7H,3-5,8-10,19H2,1-2H3,(H,20,23)(H,21,22,24);1H.
What are the key properties of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-1-aminocyclohexane-1-carboxamide;hydrochloride?
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-1-aminocyclohexane-1-carboxamide;hydrochloride has a molecular weight of 429.01 g/mol, XLogP of 3.84, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-1-aminocyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 120589150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).