N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-(propylamino)benzamide

C16H21N3OS — CID 62174910

IUPACN-(4-propan-2-yl-1,3-thiazol-2-yl)-2-(propylamino)benzamide
SMILESCCCNc1ccccc1C(=O)Nc1nc(C(C)C)cs1
InChIInChI=1S/C16H21N3OS/c1-4-9-17-13-8-6-5-7-12(13)15(20)19-16-18-14(10-21-16)11(2)3/h5-8,10-11,17H,4,9H2,1-3H3,(H,18,19,20)
InChIKeyKLKBWPASZREJGL-UHFFFAOYSA-N
MW303.43 g/mol
LogP4.34
Rot. Bonds6

About N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-(propylamino)benzamide

N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-(propylamino)benzamide (PubChem CID 62174910) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-(propylamino)benzamide.

Molecular Properties

Compound NameN-(4-propan-2-yl-1,3-thiazol-2-yl)-2-(propylamino)benzamide
PubChem CID62174910
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC NameN-(4-propan-2-yl-1,3-thiazol-2-yl)-2-(propylamino)benzamide
SMILESCCCNc1ccccc1C(=O)Nc1nc(C(C)C)cs1
InChIInChI=1S/C16H21N3OS/c1-4-9-17-13-8-6-5-7-12(13)15(20)19-16-18-14(10-21-16)11(2)3/h5-8,10-11,17H,4,9H2,1-3H3,(H,18,19,20)
InChIKeyKLKBWPASZREJGL-UHFFFAOYSA-N
XLogP4.34
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-propan-2-yl-1,3-thiazol-2-yl)-6-(propylamino)pyridine-2-carboxamide
CID 62239162
2,3-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 37019052
N-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-indole-3-carboxamide
CID 60679000
2-amino-3-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 62661911
2-chloro-N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 64555687
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 64558447
N-(4-methyl-1,3-thiazol-2-yl)-3-(propylamino)pyridine-4-carboxamide
CID 105068083
N-(2-fluorophenyl)-2-(propylamino)benzamide
CID 62166035
5-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]thiophene-2-carboxylic acid
CID 60721950
methyl 2-[[2-(propylamino)benzoyl]amino]propanoate
CID 63108414
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2,3-dihydroxybenzamide
CID 114343473
4-fluoro-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 64557871

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-(propylamino)benzamide?
The IUPAC name of N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-(propylamino)benzamide (CID 62174910) is N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-(propylamino)benzamide.
What is the SMILES notation for N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-(propylamino)benzamide?
The canonical SMILES for N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-(propylamino)benzamide is CCCNc1ccccc1C(=O)Nc1nc(C(C)C)cs1.
What is the InChIKey of N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-(propylamino)benzamide?
The InChIKey is KLKBWPASZREJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-4-9-17-13-8-6-5-7-12(13)15(20)19-16-18-14(10-21-16)11(2)3/h5-8,10-11,17H,4,9H2,1-3H3,(H,18,19,20).
What are the key properties of N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-(propylamino)benzamide?
N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-(propylamino)benzamide has a molecular weight of 303.43 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-(propylamino)benzamide is sourced from PubChem (CID 62174910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).