2-amino-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,3-dimethylbutanamide

C10H16ClN3OS — CID 77144571

IUPAC2-amino-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,3-dimethylbutanamide
SMILESCC(C)C(N)C(=O)N(C)Cc1cnc(Cl)s1
InChIInChI=1S/C10H16ClN3OS/c1-6(2)8(12)9(15)14(3)5-7-4-13-10(11)16-7/h4,6,8H,5,12H2,1-3H3
InChIKeyUBJVIPNIWAUXSA-UHFFFAOYSA-N
MW261.78 g/mol
LogP1.74
Rot. Bonds4

About 2-amino-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,3-dimethylbutanamide

2-amino-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,3-dimethylbutanamide (PubChem CID 77144571) has the molecular formula C10H16ClN3OS and a molecular weight of 261.78 g/mol. Its IUPAC name is 2-amino-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,3-dimethylbutanamide.

Molecular Properties

Compound Name2-amino-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,3-dimethylbutanamide
PubChem CID77144571
Molecular FormulaC10H16ClN3OS
Molecular Weight261.78 g/mol
Exact Mass261.07
IUPAC Name2-amino-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,3-dimethylbutanamide
SMILESCC(C)C(N)C(=O)N(C)Cc1cnc(Cl)s1
InChIInChI=1S/C10H16ClN3OS/c1-6(2)8(12)9(15)14(3)5-7-4-13-10(11)16-7/h4,6,8H,5,12H2,1-3H3
InChIKeyUBJVIPNIWAUXSA-UHFFFAOYSA-N
XLogP1.74
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.78
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N,3-dimethylbutanamide
CID 79013221
2-amino-N-[(5-bromothiophen-2-yl)methyl]-N,3-dimethylbutanamide;hydrochloride
CID 119270973
(2R)-2-amino-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 79011600
2-amino-N,4-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide
CID 54872501
(2S)-2-amino-N-[(6-chloropyridazin-3-yl)methyl]-N,3-dimethylbutanamide
CID 66568908
N'-[(2-chloro-1,3-thiazol-5-yl)methyl]-N'-methylpropane-1,3-diamine
CID 81493193
2-bromo-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 107904478
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N,3-dimethylpentanamide
CID 54869576
(2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide
CID 78973111
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide
CID 60937566
(2S)-2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,3-dimethylbutanamide
CID 61164745
(2R)-2-amino-N-[(3-chlorophenyl)methyl]-N,3-dimethylbutanamide
CID 79012263

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,3-dimethylbutanamide?
The IUPAC name of 2-amino-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,3-dimethylbutanamide (CID 77144571) is 2-amino-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,3-dimethylbutanamide.
What is the SMILES notation for 2-amino-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,3-dimethylbutanamide?
The canonical SMILES for 2-amino-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,3-dimethylbutanamide is CC(C)C(N)C(=O)N(C)Cc1cnc(Cl)s1.
What is the InChIKey of 2-amino-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,3-dimethylbutanamide?
The InChIKey is UBJVIPNIWAUXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3OS/c1-6(2)8(12)9(15)14(3)5-7-4-13-10(11)16-7/h4,6,8H,5,12H2,1-3H3.
What are the key properties of 2-amino-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,3-dimethylbutanamide?
2-amino-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,3-dimethylbutanamide has a molecular weight of 261.78 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,3-dimethylbutanamide is sourced from PubChem (CID 77144571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).