N-[3-[[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]methyl]phenyl]butanamide

C19H27N3OS — CID 47056457

IUPACN-[3-[[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]methyl]phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(CNCc2csc(C(C)(C)C)n2)c1
InChIInChI=1S/C19H27N3OS/c1-5-7-17(23)21-15-9-6-8-14(10-15)11-20-12-16-13-24-18(22-16)19(2,3)4/h6,8-10,13,20H,5,7,11-12H2,1-4H3,(H,21,23)
InChIKeyCPPJWHPPVHYGKH-UHFFFAOYSA-N
MW345.51 g/mol
LogP4.47
Rot. Bonds7

About N-[3-[[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]methyl]phenyl]butanamide

N-[3-[[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]methyl]phenyl]butanamide (PubChem CID 47056457) has the molecular formula C19H27N3OS and a molecular weight of 345.51 g/mol. Its IUPAC name is N-[3-[[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]methyl]phenyl]butanamide.

Molecular Properties

Compound NameN-[3-[[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]methyl]phenyl]butanamide
PubChem CID47056457
Molecular FormulaC19H27N3OS
Molecular Weight345.51 g/mol
Exact Mass345.19
IUPAC NameN-[3-[[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]methyl]phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(CNCc2csc(C(C)(C)C)n2)c1
InChIInChI=1S/C19H27N3OS/c1-5-7-17(23)21-15-9-6-8-14(10-15)11-20-12-16-13-24-18(22-16)19(2,3)4/h6,8-10,13,20H,5,7,11-12H2,1-4H3,(H,21,23)
InChIKeyCPPJWHPPVHYGKH-UHFFFAOYSA-N
XLogP4.47
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.51
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]methyl]benzamide
CID 115591998
1-(3-bromophenyl)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]methanamine
CID 115597102
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-(3-ethoxyphenyl)methanamine
CID 115586619
4-[[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]methyl]benzoic acid
CID 120509449
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-3-[[(S)-methylsulfinyl]methyl]aniline
CID 97236765
N-[3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]butanamide
CID 87026123
N-[3-[[[N,N'-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamimidoyl]amino]methyl]phenyl]butanamide;hydroiodide
CID 109422305
2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-N-ethylacetamide
CID 115586443
2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-N-methylacetamide
CID 47285247
N-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]phenyl]acetamide
CID 115592184
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-[4-(methylsulfonylmethyl)phenyl]methanamine
CID 51120109
3-methoxy-3-methyl-N-[3-(propylaminomethyl)phenyl]butanamide
CID 106910632

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]methyl]phenyl]butanamide?
The IUPAC name of N-[3-[[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]methyl]phenyl]butanamide (CID 47056457) is N-[3-[[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]methyl]phenyl]butanamide.
What is the SMILES notation for N-[3-[[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]methyl]phenyl]butanamide?
The canonical SMILES for N-[3-[[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]methyl]phenyl]butanamide is CCCC(=O)Nc1cccc(CNCc2csc(C(C)(C)C)n2)c1.
What is the InChIKey of N-[3-[[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]methyl]phenyl]butanamide?
The InChIKey is CPPJWHPPVHYGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3OS/c1-5-7-17(23)21-15-9-6-8-14(10-15)11-20-12-16-13-24-18(22-16)19(2,3)4/h6,8-10,13,20H,5,7,11-12H2,1-4H3,(H,21,23).
What are the key properties of N-[3-[[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]methyl]phenyl]butanamide?
N-[3-[[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]methyl]phenyl]butanamide has a molecular weight of 345.51 g/mol, XLogP of 4.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]methyl]phenyl]butanamide is sourced from PubChem (CID 47056457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).