N-[3-(aminomethyl)pentan-3-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide

C17H23N3OS — CID 119569191

IUPACN-[3-(aminomethyl)pentan-3-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCCC(CC)(CN)NC(=O)c1sc(-c2ccccc2)nc1C
InChIInChI=1S/C17H23N3OS/c1-4-17(5-2,11-18)20-15(21)14-12(3)19-16(22-14)13-9-7-6-8-10-13/h6-10H,4-5,11,18H2,1-3H3,(H,20,21)
InChIKeyTWMYTFJTLNHDMN-UHFFFAOYSA-N
MW317.46 g/mol
LogP3.37
Rot. Bonds6

About N-[3-(aminomethyl)pentan-3-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide

N-[3-(aminomethyl)pentan-3-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 119569191) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
PubChem CID119569191
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCCC(CC)(CN)NC(=O)c1sc(-c2ccccc2)nc1C
InChIInChI=1S/C17H23N3OS/c1-4-17(5-2,11-18)20-15(21)14-12(3)19-16(22-14)13-9-7-6-8-10-13/h6-10H,4-5,11,18H2,1-3H3,(H,20,21)
InChIKeyTWMYTFJTLNHDMN-UHFFFAOYSA-N
XLogP3.37
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 110002893
2-(4-methoxyphenyl)-4-methyl-N-phenylmethoxy-1,3-thiazole-5-carboxamide
CID 18139180
N'-[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 55616426
N-(2-hydroxyphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 46666287
2-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 56919999
2-hydroxy-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone
CID 14318557
N-(4-acetamidobutyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 110356793
4-methyl-N-naphthalen-1-yl-2-phenyl-1,3-thiazole-5-carboxamide
CID 4076042
N-[3-(aminomethyl)pentan-3-yl]-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 119568744
4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 4319506
2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbohydrazide
CID 82427094
4-methyl-2-phenyl-N-[(1R)-1-phenylethyl]-1,3-thiazole-5-carboxamide
CID 9123977

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide (CID 119569191) is N-[3-(aminomethyl)pentan-3-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide is CCC(CC)(CN)NC(=O)c1sc(-c2ccccc2)nc1C.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is TWMYTFJTLNHDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-4-17(5-2,11-18)20-15(21)14-12(3)19-16(22-14)13-9-7-6-8-10-13/h6-10H,4-5,11,18H2,1-3H3,(H,20,21).
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
N-[3-(aminomethyl)pentan-3-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 317.46 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 119569191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).