N-(5-chloro-2-methoxyphenyl)-2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]acetamide

C18H21ClN4O3S — CID 27444463

IUPACN-(5-chloro-2-methoxyphenyl)-2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)Cc1csc(NC(=O)NC2CCCC2)n1
InChIInChI=1S/C18H21ClN4O3S/c1-26-15-7-6-11(19)8-14(15)22-16(24)9-13-10-27-18(21-13)23-17(25)20-12-4-2-3-5-12/h6-8,10,12H,2-5,9H2,1H3,(H,22,24)(H2,20,21,23,25)
InChIKeyHHMYROUOUXRMBY-UHFFFAOYSA-N
MW408.91 g/mol
LogP4.05
Rot. Bonds6

About N-(5-chloro-2-methoxyphenyl)-2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]acetamide

N-(5-chloro-2-methoxyphenyl)-2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]acetamide (PubChem CID 27444463) has the molecular formula C18H21ClN4O3S and a molecular weight of 408.91 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]acetamide
PubChem CID27444463
Molecular FormulaC18H21ClN4O3S
Molecular Weight408.91 g/mol
Exact Mass408.10
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)Cc1csc(NC(=O)NC2CCCC2)n1
InChIInChI=1S/C18H21ClN4O3S/c1-26-15-7-6-11(19)8-14(15)22-16(24)9-13-10-27-18(21-13)23-17(25)20-12-4-2-3-5-12/h6-8,10,12H,2-5,9H2,1H3,(H,22,24)(H2,20,21,23,25)
InChIKeyHHMYROUOUXRMBY-UHFFFAOYSA-N
XLogP4.05
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.91
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]-N-(3,5-dichlorophenyl)acetamide
CID 41211744
1-(5-chloro-2-methoxyphenyl)-3-cyclododecylurea
CID 108875500
2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]-N-(2,3-dimethylphenyl)acetamide
CID 27542821
N-cyclopropyl-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 27451343
2-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(2,3-dimethylphenyl)acetamide
CID 43996974
2-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(3,4-dimethylphenyl)acetamide
CID 43996976
2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(2,5-dimethoxyphenyl)acetamide
CID 18567627
2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
CID 27505510
N-(5-chloro-2-methoxyphenyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 26720081
2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 27463137
2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]-N-(4-ethoxyphenyl)acetamide
CID 27652941
2-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(cyclohexylmethyl)acetamide
CID 20930030

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]acetamide (CID 27444463) is N-(5-chloro-2-methoxyphenyl)-2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]acetamide is COc1ccc(Cl)cc1NC(=O)Cc1csc(NC(=O)NC2CCCC2)n1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]acetamide?
The InChIKey is HHMYROUOUXRMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O3S/c1-26-15-7-6-11(19)8-14(15)22-16(24)9-13-10-27-18(21-13)23-17(25)20-12-4-2-3-5-12/h6-8,10,12H,2-5,9H2,1H3,(H,22,24)(H2,20,21,23,25).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]acetamide?
N-(5-chloro-2-methoxyphenyl)-2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]acetamide has a molecular weight of 408.91 g/mol, XLogP of 4.05, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 27444463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).