2-[(5-amino-1,3-thiazol-2-yl)amino]-3-methylbutanamide

C8H14N4OS — CID 106344040

IUPAC2-[(5-amino-1,3-thiazol-2-yl)amino]-3-methylbutanamide
SMILESCC(C)C(Nc1ncc(N)s1)C(N)=O
InChIInChI=1S/C8H14N4OS/c1-4(2)6(7(10)13)12-8-11-3-5(9)14-8/h3-4,6H,9H2,1-2H3,(H2,10,13)(H,11,12)
InChIKeyYUGJINOCAUJNHS-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.65
Rot. Bonds4

About 2-[(5-amino-1,3-thiazol-2-yl)amino]-3-methylbutanamide

2-[(5-amino-1,3-thiazol-2-yl)amino]-3-methylbutanamide (PubChem CID 106344040) has the molecular formula C8H14N4OS and a molecular weight of 214.29 g/mol. Its IUPAC name is 2-[(5-amino-1,3-thiazol-2-yl)amino]-3-methylbutanamide.

Molecular Properties

Compound Name2-[(5-amino-1,3-thiazol-2-yl)amino]-3-methylbutanamide
PubChem CID106344040
Molecular FormulaC8H14N4OS
Molecular Weight214.29 g/mol
Exact Mass214.09
IUPAC Name2-[(5-amino-1,3-thiazol-2-yl)amino]-3-methylbutanamide
SMILESCC(C)C(Nc1ncc(N)s1)C(N)=O
InChIInChI=1S/C8H14N4OS/c1-4(2)6(7(10)13)12-8-11-3-5(9)14-8/h3-4,6H,9H2,1-2H3,(H2,10,13)(H,11,12)
InChIKeyYUGJINOCAUJNHS-UHFFFAOYSA-N
XLogP0.65
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-amino-1,3-thiazol-2-yl)amino]propan-1-ol
CID 102767605
2-N-(3-ethylpentan-2-yl)-1,3-thiazole-2,5-diamine
CID 102768492
2-[(5-amino-1,3-thiazol-2-yl)amino]-N-ethyl-N-methylpropanamide
CID 103106716
3-[(5-amino-1,3-thiazol-2-yl)amino]propanamide
CID 102767632
2-[(5-amino-1,3-thiazol-2-yl)amino]-N-propan-2-ylacetamide
CID 102767648
1-[(5-amino-1,3-thiazol-2-yl)amino]propan-2-ol
CID 102767603
2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 106347379
3-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butanamide
CID 103894668
2-[(5-methoxypyrimidin-2-yl)amino]-3-methylbutanamide
CID 106345974
(2S)-2-[(5-cyano-2-pyridinyl)amino]-3-methylbutanamide
CID 97236005
3-methyl-2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]butanamide
CID 103801562
2-N-(1-ethoxypropan-2-yl)-1,3-thiazole-2,5-diamine
CID 102768135

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3-thiazol-2-yl)amino]-3-methylbutanamide?
The IUPAC name of 2-[(5-amino-1,3-thiazol-2-yl)amino]-3-methylbutanamide (CID 106344040) is 2-[(5-amino-1,3-thiazol-2-yl)amino]-3-methylbutanamide.
What is the SMILES notation for 2-[(5-amino-1,3-thiazol-2-yl)amino]-3-methylbutanamide?
The canonical SMILES for 2-[(5-amino-1,3-thiazol-2-yl)amino]-3-methylbutanamide is CC(C)C(Nc1ncc(N)s1)C(N)=O.
What is the InChIKey of 2-[(5-amino-1,3-thiazol-2-yl)amino]-3-methylbutanamide?
The InChIKey is YUGJINOCAUJNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4OS/c1-4(2)6(7(10)13)12-8-11-3-5(9)14-8/h3-4,6H,9H2,1-2H3,(H2,10,13)(H,11,12).
What are the key properties of 2-[(5-amino-1,3-thiazol-2-yl)amino]-3-methylbutanamide?
2-[(5-amino-1,3-thiazol-2-yl)amino]-3-methylbutanamide has a molecular weight of 214.29 g/mol, XLogP of 0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3-thiazol-2-yl)amino]-3-methylbutanamide is sourced from PubChem (CID 106344040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).