N-[2-amino-1-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl]ethyl]-2-(4-chlorophenyl)-1H-imidazole-5-carboxamide

C17H18ClN5O2S — CID 118970240

IUPACN-[2-amino-1-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl]ethyl]-2-(4-chlorophenyl)-1H-imidazole-5-carboxamide
SMILESCc1nc(C(CN)NC(=O)c2cnc(-c3ccc(Cl)cc3)[nH]2)sc1CO
InChIInChI=1S/C17H18ClN5O2S/c1-9-14(8-24)26-17(21-9)12(6-19)23-16(25)13-7-20-15(22-13)10-2-4-11(18)5-3-10/h2-5,7,12,24H,6,8,19H2,1H3,(H,20,22)(H,23,25)
InChIKeySEIFQNODSPCYPJ-UHFFFAOYSA-N
MW391.88 g/mol
LogP2.42
Rot. Bonds6

About N-[2-amino-1-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl]ethyl]-2-(4-chlorophenyl)-1H-imidazole-5-carboxamide

N-[2-amino-1-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl]ethyl]-2-(4-chlorophenyl)-1H-imidazole-5-carboxamide (PubChem CID 118970240) has the molecular formula C17H18ClN5O2S and a molecular weight of 391.88 g/mol. Its IUPAC name is N-[2-amino-1-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl]ethyl]-2-(4-chlorophenyl)-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-amino-1-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl]ethyl]-2-(4-chlorophenyl)-1H-imidazole-5-carboxamide
PubChem CID118970240
Molecular FormulaC17H18ClN5O2S
Molecular Weight391.88 g/mol
Exact Mass391.09
IUPAC NameN-[2-amino-1-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl]ethyl]-2-(4-chlorophenyl)-1H-imidazole-5-carboxamide
SMILESCc1nc(C(CN)NC(=O)c2cnc(-c3ccc(Cl)cc3)[nH]2)sc1CO
InChIInChI=1S/C17H18ClN5O2S/c1-9-14(8-24)26-17(21-9)12(6-19)23-16(25)13-7-20-15(22-13)10-2-4-11(18)5-3-10/h2-5,7,12,24H,6,8,19H2,1H3,(H,20,22)(H,23,25)
InChIKeySEIFQNODSPCYPJ-UHFFFAOYSA-N
XLogP2.42
TPSA116.92 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.88
LogP ≤ 52.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-amino-1-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl]ethyl]-2-(4-chlorophenyl)-1H-imidazole-5-carboxamide?
The IUPAC name of N-[2-amino-1-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl]ethyl]-2-(4-chlorophenyl)-1H-imidazole-5-carboxamide (CID 118970240) is N-[2-amino-1-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl]ethyl]-2-(4-chlorophenyl)-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[2-amino-1-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl]ethyl]-2-(4-chlorophenyl)-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[2-amino-1-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl]ethyl]-2-(4-chlorophenyl)-1H-imidazole-5-carboxamide is Cc1nc(C(CN)NC(=O)c2cnc(-c3ccc(Cl)cc3)[nH]2)sc1CO.
What is the InChIKey of N-[2-amino-1-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl]ethyl]-2-(4-chlorophenyl)-1H-imidazole-5-carboxamide?
The InChIKey is SEIFQNODSPCYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O2S/c1-9-14(8-24)26-17(21-9)12(6-19)23-16(25)13-7-20-15(22-13)10-2-4-11(18)5-3-10/h2-5,7,12,24H,6,8,19H2,1H3,(H,20,22)(H,23,25).
What are the key properties of N-[2-amino-1-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl]ethyl]-2-(4-chlorophenyl)-1H-imidazole-5-carboxamide?
N-[2-amino-1-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl]ethyl]-2-(4-chlorophenyl)-1H-imidazole-5-carboxamide has a molecular weight of 391.88 g/mol, XLogP of 2.42, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-1-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl]ethyl]-2-(4-chlorophenyl)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 118970240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).