N-[3-[[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide

C18H20ClN3O3S — CID 55668604

IUPACN-[3-[[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)CCNC(=O)C3CC3C)n2)cc1Cl
InChIInChI=1S/C18H20ClN3O3S/c1-10-7-12(10)17(24)20-6-5-16(23)22-18-21-14(9-26-18)11-3-4-15(25-2)13(19)8-11/h3-4,8-10,12H,5-7H2,1-2H3,(H,20,24)(H,21,22,23)
InChIKeyDYUFYRDAXXQWMA-UHFFFAOYSA-N
MW393.90 g/mol
LogP3.57
Rot. Bonds7

About N-[3-[[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide

N-[3-[[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 55668604) has the molecular formula C18H20ClN3O3S and a molecular weight of 393.90 g/mol. Its IUPAC name is N-[3-[[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[3-[[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
PubChem CID55668604
Molecular FormulaC18H20ClN3O3S
Molecular Weight393.90 g/mol
Exact Mass393.09
IUPAC NameN-[3-[[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)CCNC(=O)C3CC3C)n2)cc1Cl
InChIInChI=1S/C18H20ClN3O3S/c1-10-7-12(10)17(24)20-6-5-16(23)22-18-21-14(9-26-18)11-3-4-15(25-2)13(19)8-11/h3-4,8-10,12H,5-7H2,1-2H3,(H,20,24)(H,21,22,23)
InChIKeyDYUFYRDAXXQWMA-UHFFFAOYSA-N
XLogP3.57
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.90
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 55667223
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(4-chlorophenyl)acetamide
CID 16562173
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(4-methylphenoxy)butanamide
CID 16562191
4-(2,4-dichlorophenoxy)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 19183987
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide;hydrochloride
CID 86780136
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-phenylsulfanylacetamide
CID 16562235
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanamide
CID 55874879
3-chloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 6491053
4-amino-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 92944336
cis-(1S,2R)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 8838993
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2H-benzotriazole-5-carboxamide
CID 41221106
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
CID 7603429

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[3-[[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide (CID 55668604) is N-[3-[[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[3-[[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[3-[[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide is COc1ccc(-c2csc(NC(=O)CCNC(=O)C3CC3C)n2)cc1Cl.
What is the InChIKey of N-[3-[[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is DYUFYRDAXXQWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3S/c1-10-7-12(10)17(24)20-6-5-16(23)22-18-21-14(9-26-18)11-3-4-15(25-2)13(19)8-11/h3-4,8-10,12H,5-7H2,1-2H3,(H,20,24)(H,21,22,23).
What are the key properties of N-[3-[[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
N-[3-[[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 393.90 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 55668604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).