N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(propan-2-ylcarbamoylamino)benzamide

C20H19ClN4O2S — CID 55649885

IUPACN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(propan-2-ylcarbamoylamino)benzamide
SMILESCC(C)NC(=O)Nc1cccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c1
InChIInChI=1S/C20H19ClN4O2S/c1-12(2)22-19(27)23-16-5-3-4-14(10-16)18(26)25-20-24-17(11-28-20)13-6-8-15(21)9-7-13/h3-12H,1-2H3,(H2,22,23,27)(H,24,25,26)
InChIKeyGIRBDAUFCJFOSV-UHFFFAOYSA-N
MW414.92 g/mol
LogP5.25
Rot. Bonds5

About N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(propan-2-ylcarbamoylamino)benzamide

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(propan-2-ylcarbamoylamino)benzamide (PubChem CID 55649885) has the molecular formula C20H19ClN4O2S and a molecular weight of 414.92 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(propan-2-ylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(propan-2-ylcarbamoylamino)benzamide
PubChem CID55649885
Molecular FormulaC20H19ClN4O2S
Molecular Weight414.92 g/mol
Exact Mass414.09
IUPAC NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(propan-2-ylcarbamoylamino)benzamide
SMILESCC(C)NC(=O)Nc1cccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c1
InChIInChI=1S/C20H19ClN4O2S/c1-12(2)22-19(27)23-16-5-3-4-14(10-16)18(26)25-20-24-17(11-28-20)13-6-8-15(21)9-7-13/h3-12H,1-2H3,(H2,22,23,27)(H,24,25,26)
InChIKeyGIRBDAUFCJFOSV-UHFFFAOYSA-N
XLogP5.25
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.92
LogP ≤ 55.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,3-N-bis[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzene-1,3-dicarboxamide
CID 3495731
3-acetamido-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]benzamide
CID 41190009
3-chloro-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 4115065
3-(aminomethyl)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 119044872
3-acetamido-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 8748170
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-ethylsulfonylbenzamide
CID 7295218
4-acetamido-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 7923619
4-chloro-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2332435
3-[(4-chlorophenyl)carbamoylamino]-N-propan-2-ylbenzamide
CID 17197361
3-chloro-N-[4-[2-[(3-chlorobenzoyl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide
CID 4684808
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 4693642
methyl 3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]benzoate
CID 84565441

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(propan-2-ylcarbamoylamino)benzamide?
The IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(propan-2-ylcarbamoylamino)benzamide (CID 55649885) is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(propan-2-ylcarbamoylamino)benzamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(propan-2-ylcarbamoylamino)benzamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(propan-2-ylcarbamoylamino)benzamide is CC(C)NC(=O)Nc1cccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c1.
What is the InChIKey of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(propan-2-ylcarbamoylamino)benzamide?
The InChIKey is GIRBDAUFCJFOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2S/c1-12(2)22-19(27)23-16-5-3-4-14(10-16)18(26)25-20-24-17(11-28-20)13-6-8-15(21)9-7-13/h3-12H,1-2H3,(H2,22,23,27)(H,24,25,26).
What are the key properties of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(propan-2-ylcarbamoylamino)benzamide?
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(propan-2-ylcarbamoylamino)benzamide has a molecular weight of 414.92 g/mol, XLogP of 5.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(propan-2-ylcarbamoylamino)benzamide is sourced from PubChem (CID 55649885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).