2-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide

C12H15N3OS2 — CID 55115786

IUPAC2-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESCC(C)N(Cc1cccs1)C(=O)c1csc(N)n1
InChIInChI=1S/C12H15N3OS2/c1-8(2)15(6-9-4-3-5-17-9)11(16)10-7-18-12(13)14-10/h3-5,7-8H,6H2,1-2H3,(H2,13,14)
InChIKeyVOFJXZLCQDEYFD-UHFFFAOYSA-N
MW281.41 g/mol
LogP2.84
Rot. Bonds4

About 2-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide

2-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 55115786) has the molecular formula C12H15N3OS2 and a molecular weight of 281.41 g/mol. Its IUPAC name is 2-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide
PubChem CID55115786
Molecular FormulaC12H15N3OS2
Molecular Weight281.41 g/mol
Exact Mass281.07
IUPAC Name2-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESCC(C)N(Cc1cccs1)C(=O)c1csc(N)n1
InChIInChI=1S/C12H15N3OS2/c1-8(2)15(6-9-4-3-5-17-9)11(16)10-7-18-12(13)14-10/h3-5,7-8H,6H2,1-2H3,(H2,13,14)
InChIKeyVOFJXZLCQDEYFD-UHFFFAOYSA-N
XLogP2.84
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid
CID 61455935
2-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazole-4-carboxamide
CID 79494174
6-(ethylamino)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 62240687
3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 104742073
3-amino-2-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide
CID 61450256
2,4-diamino-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide
CID 61449973
4-amino-N,5-di(propan-2-yl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-3-carboxamide
CID 62077582
1-(2-aminoethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide
CID 107497882
2-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119289696
1,1-dimethyl-3-propan-2-yl-3-(thiophen-2-ylmethyl)urea
CID 115591362
2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 39248066
4-amino-5-ethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)-1H-pyrazole-3-carboxamide
CID 62080802

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide (CID 55115786) is 2-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide is CC(C)N(Cc1cccs1)C(=O)c1csc(N)n1.
What is the InChIKey of 2-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is VOFJXZLCQDEYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS2/c1-8(2)15(6-9-4-3-5-17-9)11(16)10-7-18-12(13)14-10/h3-5,7-8H,6H2,1-2H3,(H2,13,14).
What are the key properties of 2-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide?
2-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 281.41 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 55115786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).