2-(methylamino)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide

C8H13N3OS — CID 61043728

IUPAC2-(methylamino)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
SMILESCNCC(=O)NCc1nc(C)cs1
InChIInChI=1S/C8H13N3OS/c1-6-5-13-8(11-6)4-10-7(12)3-9-2/h5,9H,3-4H2,1-2H3,(H,10,12)
InChIKeyCCIQIGDFZWWQQO-UHFFFAOYSA-N
MW199.28 g/mol
LogP0.29
Rot. Bonds4

About 2-(methylamino)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide

2-(methylamino)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide (PubChem CID 61043728) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is 2-(methylamino)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(methylamino)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
PubChem CID61043728
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name2-(methylamino)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
SMILESCNCC(=O)NCc1nc(C)cs1
InChIInChI=1S/C8H13N3OS/c1-6-5-13-8(11-6)4-10-7(12)3-9-2/h5,9H,3-4H2,1-2H3,(H,10,12)
InChIKeyCCIQIGDFZWWQQO-UHFFFAOYSA-N
XLogP0.29
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78924252
3-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 82110563
N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentanamide
CID 110739073
ethyl 3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-3-oxopropanoate
CID 110465416
3-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butanamide;dihydrochloride
CID 119839268
methyl N-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamate
CID 110739075
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(propan-2-ylamino)propanamide
CID 61044456
N-(cyanomethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]acetamide
CID 61043735
3,3-dimethyl-5-[(4-methyl-1,3-thiazol-2-yl)methylamino]-5-oxopentanoic acid
CID 62934592
2-(4-chlorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 51315954
(2S)-2-hydroxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 130629082
7-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]heptanamide;dihydrochloride
CID 119839230

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide?
The IUPAC name of 2-(methylamino)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide (CID 61043728) is 2-(methylamino)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(methylamino)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-(methylamino)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide is CNCC(=O)NCc1nc(C)cs1.
What is the InChIKey of 2-(methylamino)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide?
The InChIKey is CCIQIGDFZWWQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-6-5-13-8(11-6)4-10-7(12)3-9-2/h5,9H,3-4H2,1-2H3,(H,10,12).
What are the key properties of 2-(methylamino)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide?
2-(methylamino)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide has a molecular weight of 199.28 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 61043728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).