N-(2-methylbutan-2-yl)-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide

C12H21N3O2S — CID 106380948

IUPACN-(2-methylbutan-2-yl)-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide
SMILESCCC(C)(C)NC(=O)C(C)NCc1csc(=O)[nH]1
InChIInChI=1S/C12H21N3O2S/c1-5-12(3,4)15-10(16)8(2)13-6-9-7-18-11(17)14-9/h7-8,13H,5-6H2,1-4H3,(H,14,17)(H,15,16)
InChIKeyHKBCXHFCIZWPON-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.22
Rot. Bonds6

About N-(2-methylbutan-2-yl)-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide

N-(2-methylbutan-2-yl)-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide (PubChem CID 106380948) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide
PubChem CID106380948
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC NameN-(2-methylbutan-2-yl)-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide
SMILESCCC(C)(C)NC(=O)C(C)NCc1csc(=O)[nH]1
InChIInChI=1S/C12H21N3O2S/c1-5-12(3,4)15-10(16)8(2)13-6-9-7-18-11(17)14-9/h7-8,13H,5-6H2,1-4H3,(H,14,17)(H,15,16)
InChIKeyHKBCXHFCIZWPON-UHFFFAOYSA-N
XLogP1.22
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide
CID 114181405
N-ethyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide
CID 106381107
N-(methylcarbamoyl)-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide
CID 106380803
N,N-dimethyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide
CID 106380790
4-[[(3-hydroxy-3-methylbutan-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379748
N-(2-methylbutan-2-yl)-2-[(3-methylthiophen-2-yl)methylamino]propanamide
CID 113221911
4-[(3-methylbutan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380474
2-[(3-bromothiophen-2-yl)methylamino]-N-(2-methylbutan-2-yl)propanamide
CID 78983885
2-(ethylamino)-N-(2-methylbutan-2-yl)propanamide
CID 43112409
4-[(1-ethoxypropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106379693
(2S)-2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide
CID 106381235
ethyl 3,3-dimethyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]butanoate
CID 106383119

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide?
The IUPAC name of N-(2-methylbutan-2-yl)-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide (CID 106380948) is N-(2-methylbutan-2-yl)-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide is CCC(C)(C)NC(=O)C(C)NCc1csc(=O)[nH]1.
What is the InChIKey of N-(2-methylbutan-2-yl)-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide?
The InChIKey is HKBCXHFCIZWPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-5-12(3,4)15-10(16)8(2)13-6-9-7-18-11(17)14-9/h7-8,13H,5-6H2,1-4H3,(H,14,17)(H,15,16).
What are the key properties of N-(2-methylbutan-2-yl)-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide?
N-(2-methylbutan-2-yl)-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide has a molecular weight of 271.39 g/mol, XLogP of 1.22, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide is sourced from PubChem (CID 106380948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).