4-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-phenylbutanamide

C16H21N3OS — CID 63837429

IUPAC4-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-phenylbutanamide
SMILESCc1ncsc1CN(C)C(=O)CCC(N)c1ccccc1
InChIInChI=1S/C16H21N3OS/c1-12-15(21-11-18-12)10-19(2)16(20)9-8-14(17)13-6-4-3-5-7-13/h3-7,11,14H,8-10,17H2,1-2H3
InChIKeyWDCKKHXGLOAQSW-UHFFFAOYSA-N
MW303.43 g/mol
LogP2.89
Rot. Bonds6

About 4-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-phenylbutanamide

4-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-phenylbutanamide (PubChem CID 63837429) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 4-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-phenylbutanamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-phenylbutanamide
PubChem CID63837429
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name4-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-phenylbutanamide
SMILESCc1ncsc1CN(C)C(=O)CCC(N)c1ccccc1
InChIInChI=1S/C16H21N3OS/c1-12-15(21-11-18-12)10-19(2)16(20)9-8-14(17)13-6-4-3-5-7-13/h3-7,11,14H,8-10,17H2,1-2H3
InChIKeyWDCKKHXGLOAQSW-UHFFFAOYSA-N
XLogP2.89
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-phenylbutanamide
CID 63324337
2-amino-N-methyl-2-(4-methylphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 106151711
2-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119876567
4-amino-N-[(5-bromothiophen-3-yl)methyl]-N-methyl-4-phenylbutanamide
CID 63323822
5-bromo-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentanamide
CID 107910110
2-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 63837959
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 63821575
1-(3-fluorophenyl)-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diamine
CID 63837877
2-amino-N,3,3-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 77009506
3-amino-N,2,2-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide;dihydrochloride
CID 119876577
3-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentanamide
CID 81079726
2-(3-hydroxyphenyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 55261779

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-phenylbutanamide?
The IUPAC name of 4-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-phenylbutanamide (CID 63837429) is 4-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-phenylbutanamide.
What is the SMILES notation for 4-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-phenylbutanamide?
The canonical SMILES for 4-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-phenylbutanamide is Cc1ncsc1CN(C)C(=O)CCC(N)c1ccccc1.
What is the InChIKey of 4-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-phenylbutanamide?
The InChIKey is WDCKKHXGLOAQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-12-15(21-11-18-12)10-19(2)16(20)9-8-14(17)13-6-4-3-5-7-13/h3-7,11,14H,8-10,17H2,1-2H3.
What are the key properties of 4-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-phenylbutanamide?
4-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-phenylbutanamide has a molecular weight of 303.43 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-phenylbutanamide is sourced from PubChem (CID 63837429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).