N-(3-chloro-4-fluorophenyl)-3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]propanamide

C19H15Cl2FN4O2S — CID 27454084

IUPACN-(3-chloro-4-fluorophenyl)-3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]propanamide
SMILESO=C(CCc1csc(NC(=O)Nc2cccc(Cl)c2)n1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C19H15Cl2FN4O2S/c20-11-2-1-3-12(8-11)24-18(28)26-19-25-14(10-29-19)5-7-17(27)23-13-4-6-16(22)15(21)9-13/h1-4,6,8-10H,5,7H2,(H,23,27)(H2,24,25,26,28)
InChIKeyJVWULWVSVRZOOK-UHFFFAOYSA-N
MW453.33 g/mol
LogP5.80
Rot. Bonds6

About N-(3-chloro-4-fluorophenyl)-3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]propanamide

N-(3-chloro-4-fluorophenyl)-3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]propanamide (PubChem CID 27454084) has the molecular formula C19H15Cl2FN4O2S and a molecular weight of 453.33 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]propanamide
PubChem CID27454084
Molecular FormulaC19H15Cl2FN4O2S
Molecular Weight453.33 g/mol
Exact Mass452.03
IUPAC NameN-(3-chloro-4-fluorophenyl)-3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]propanamide
SMILESO=C(CCc1csc(NC(=O)Nc2cccc(Cl)c2)n1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C19H15Cl2FN4O2S/c20-11-2-1-3-12(8-11)24-18(28)26-19-25-14(10-29-19)5-7-17(27)23-13-4-6-16(22)15(21)9-13/h1-4,6,8-10H,5,7H2,(H,23,27)(H2,24,25,26,28)
InChIKeyJVWULWVSVRZOOK-UHFFFAOYSA-N
XLogP5.80
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.33
LogP ≤ 55.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(3-fluorophenyl)propanamide
CID 27453922
3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(3-methylphenyl)propanamide
CID 27454022
N-(3-bromophenyl)-3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]propanamide
CID 27454039
3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 27377304
ethyl 4-[3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]propanoylamino]benzoate
CID 27454070
3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[(2-chlorophenyl)methyl]propanamide
CID 27377318
3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(cyclohexylmethyl)propanamide
CID 27454132
1-(3-chloro-4-fluorophenyl)-3-(3-chlorophenyl)urea
CID 742623
3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 27453913
2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-methoxyphenyl)acetamide
CID 26841689
2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[4-(dimethylamino)phenyl]acetamide
CID 18567623
N-(3-methoxyphenyl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide
CID 27453418

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]propanamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]propanamide (CID 27454084) is N-(3-chloro-4-fluorophenyl)-3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]propanamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]propanamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]propanamide is O=C(CCc1csc(NC(=O)Nc2cccc(Cl)c2)n1)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]propanamide?
The InChIKey is JVWULWVSVRZOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2FN4O2S/c20-11-2-1-3-12(8-11)24-18(28)26-19-25-14(10-29-19)5-7-17(27)23-13-4-6-16(22)15(21)9-13/h1-4,6,8-10H,5,7H2,(H,23,27)(H2,24,25,26,28).
What are the key properties of N-(3-chloro-4-fluorophenyl)-3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]propanamide?
N-(3-chloro-4-fluorophenyl)-3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]propanamide has a molecular weight of 453.33 g/mol, XLogP of 5.80, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]propanamide is sourced from PubChem (CID 27454084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).