2-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-N-propan-2-ylacetamide

C10H17N3OS — CID 82115304

IUPAC2-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-N-propan-2-ylacetamide
SMILESCc1nc(CN)sc1CC(=O)NC(C)C
InChIInChI=1S/C10H17N3OS/c1-6(2)12-9(14)4-8-7(3)13-10(5-11)15-8/h6H,4-5,11H2,1-3H3,(H,12,14)
InChIKeyDXAQUOSTPBTZIM-UHFFFAOYSA-N
MW227.33 g/mol
LogP0.98
Rot. Bonds4

About 2-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-N-propan-2-ylacetamide

2-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-N-propan-2-ylacetamide (PubChem CID 82115304) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-N-propan-2-ylacetamide
PubChem CID82115304
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name2-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-N-propan-2-ylacetamide
SMILESCc1nc(CN)sc1CC(=O)NC(C)C
InChIInChI=1S/C10H17N3OS/c1-6(2)12-9(14)4-8-7(3)13-10(5-11)15-8/h6H,4-5,11H2,1-3H3,(H,12,14)
InChIKeyDXAQUOSTPBTZIM-UHFFFAOYSA-N
XLogP0.98
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-aminoethyl)-4-methyl-1,3-thiazol-5-yl]-N-propan-2-ylacetamide
CID 94265172
2-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-N-(3-methylphenyl)acetamide
CID 94284257
[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]methanol
CID 83679321
2-[4-(aminomethyl)-1,3-thiazol-2-yl]-N-propan-2-ylacetamide
CID 171049245
2-(4-amino-1,3-thiazol-2-yl)-N-propan-2-ylacetamide
CID 171049213
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)acetamide
CID 58938982
2-[2-[2-(cyclopentylamino)-2-oxoethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 82155063
N-cyclopropyl-2-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]acetamide
CID 110374533
4-methylpentan-2-yl 2-(aminomethyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 63629188
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 95209682
propan-2-yl 3-[[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]methyl]benzoate
CID 83970180
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 99933130

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-N-propan-2-ylacetamide (CID 82115304) is 2-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-N-propan-2-ylacetamide is Cc1nc(CN)sc1CC(=O)NC(C)C.
What is the InChIKey of 2-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-N-propan-2-ylacetamide?
The InChIKey is DXAQUOSTPBTZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-6(2)12-9(14)4-8-7(3)13-10(5-11)15-8/h6H,4-5,11H2,1-3H3,(H,12,14).
What are the key properties of 2-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-N-propan-2-ylacetamide?
2-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-N-propan-2-ylacetamide has a molecular weight of 227.33 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 82115304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).