N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide;hydrochloride

C14H14Cl2N4OS — CID 163327093

IUPACN-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ncc(Cc2ccccc2Cl)s1)C1=NCCN1
InChIInChI=1S/C14H13ClN4OS.ClH/c15-11-4-2-1-3-9(11)7-10-8-18-14(21-10)19-13(20)12-16-5-6-17-12;/h1-4,8H,5-7H2,(H,16,17)(H,18,19,20);1H
InChIKeyWBOGBNREWPZXCM-UHFFFAOYSA-N
MW357.27 g/mol
LogP2.75
Rot. Bonds4

About N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide;hydrochloride

N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide;hydrochloride (PubChem CID 163327093) has the molecular formula C14H14Cl2N4OS and a molecular weight of 357.27 g/mol. Its IUPAC name is N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide;hydrochloride
PubChem CID163327093
Molecular FormulaC14H14Cl2N4OS
Molecular Weight357.27 g/mol
Exact Mass356.03
IUPAC NameN-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ncc(Cc2ccccc2Cl)s1)C1=NCCN1
InChIInChI=1S/C14H13ClN4OS.ClH/c15-11-4-2-1-3-9(11)7-10-8-18-14(21-10)19-13(20)12-16-5-6-17-12;/h1-4,8H,5-7H2,(H,16,17)(H,18,19,20);1H
InChIKeyWBOGBNREWPZXCM-UHFFFAOYSA-N
XLogP2.75
TPSA66.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.27
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 2068778
3-acetamido-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide;hydrochloride?
The IUPAC name of N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide;hydrochloride (CID 163327093) is N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide;hydrochloride?
The canonical SMILES for N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide;hydrochloride is Cl.O=C(Nc1ncc(Cc2ccccc2Cl)s1)C1=NCCN1.
What is the InChIKey of N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide;hydrochloride?
The InChIKey is WBOGBNREWPZXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4OS.ClH/c15-11-4-2-1-3-9(11)7-10-8-18-14(21-10)19-13(20)12-16-5-6-17-12;/h1-4,8H,5-7H2,(H,16,17)(H,18,19,20);1H.
What are the key properties of N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide;hydrochloride?
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide;hydrochloride has a molecular weight of 357.27 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide;hydrochloride is sourced from PubChem (CID 163327093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).