N-cyclopropyl-4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]benzamide

C16H19N3OS — CID 43781900

IUPACN-cyclopropyl-4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]benzamide
SMILESCc1ncsc1C(C)Nc1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C16H19N3OS/c1-10-15(21-9-17-10)11(2)18-13-5-3-12(4-6-13)16(20)19-14-7-8-14/h3-6,9,11,14,18H,7-8H2,1-2H3,(H,19,20)
InChIKeyJYJJMPQNRMIUAV-UHFFFAOYSA-N
MW301.42 g/mol
LogP3.52
Rot. Bonds5

About N-cyclopropyl-4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]benzamide

N-cyclopropyl-4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]benzamide (PubChem CID 43781900) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is N-cyclopropyl-4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]benzamide
PubChem CID43781900
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC NameN-cyclopropyl-4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]benzamide
SMILESCc1ncsc1C(C)Nc1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C16H19N3OS/c1-10-15(21-9-17-10)11(2)18-13-5-3-12(4-6-13)16(20)19-14-7-8-14/h3-6,9,11,14,18H,7-8H2,1-2H3,(H,19,20)
InChIKeyJYJJMPQNRMIUAV-UHFFFAOYSA-N
XLogP3.52
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(4-chlorocyclohexyl)-4-methyl-1,3-thiazole-5-carboxamide
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N-cyclobutyl-4-methylbenzamide
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N-cyclooctyl-4-(2-methylpropanoylamino)benzamide
CID 3901295
N-cycloheptyl-4-(methylamino)benzamide
CID 62165627
N-cyclopropyl-2-(4-methylanilino)propanamide
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4-methoxy-3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]benzamide
CID 43789045
4-[[1-[benzyl(methyl)amino]-1-oxopropan-2-yl]amino]-N-cyclopropylbenzamide
CID 55511124

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]benzamide?
The IUPAC name of N-cyclopropyl-4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]benzamide (CID 43781900) is N-cyclopropyl-4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]benzamide?
The canonical SMILES for N-cyclopropyl-4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]benzamide is Cc1ncsc1C(C)Nc1ccc(C(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]benzamide?
The InChIKey is JYJJMPQNRMIUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-10-15(21-9-17-10)11(2)18-13-5-3-12(4-6-13)16(20)19-14-7-8-14/h3-6,9,11,14,18H,7-8H2,1-2H3,(H,19,20).
What are the key properties of N-cyclopropyl-4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]benzamide?
N-cyclopropyl-4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]benzamide has a molecular weight of 301.42 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]benzamide is sourced from PubChem (CID 43781900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).