2-(2-aminoethyl)-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-1,3-thiazole-4-carboxamide

C15H17N5O2S — CID 120647339

IUPAC2-(2-aminoethyl)-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-1,3-thiazole-4-carboxamide
SMILESCN(C)c1nc2cc(NC(=O)c3csc(CCN)n3)ccc2o1
InChIInChI=1S/C15H17N5O2S/c1-20(2)15-19-10-7-9(3-4-12(10)22-15)17-14(21)11-8-23-13(18-11)5-6-16/h3-4,7-8H,5-6,16H2,1-2H3,(H,17,21)
InChIKeyYDEBVZSNANJAPS-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.10
Rot. Bonds5

About 2-(2-aminoethyl)-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-1,3-thiazole-4-carboxamide

2-(2-aminoethyl)-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-1,3-thiazole-4-carboxamide (PubChem CID 120647339) has the molecular formula C15H17N5O2S and a molecular weight of 331.40 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-1,3-thiazole-4-carboxamide
PubChem CID120647339
Molecular FormulaC15H17N5O2S
Molecular Weight331.40 g/mol
Exact Mass331.11
IUPAC Name2-(2-aminoethyl)-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-1,3-thiazole-4-carboxamide
SMILESCN(C)c1nc2cc(NC(=O)c3csc(CCN)n3)ccc2o1
InChIInChI=1S/C15H17N5O2S/c1-20(2)15-19-10-7-9(3-4-12(10)22-15)17-14(21)11-8-23-13(18-11)5-6-16/h3-4,7-8H,5-6,16H2,1-2H3,(H,17,21)
InChIKeyYDEBVZSNANJAPS-UHFFFAOYSA-N
XLogP2.10
TPSA97.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-aminoethyl)-N-[4-(dimethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 120617738
2-(2-aminoethyl)-N-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-1,3-thiazole-4-carboxamide
CID 120645695
2-(2-aminoethyl)-N-[3-[methyl(propan-2-yl)amino]phenyl]-1,3-thiazole-4-carboxamide
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2-(2-aminoethyl)-N-(4-chloro-3-fluorophenyl)-1,3-thiazole-4-carboxamide
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N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 71915783
2-(2-aminoethyl)-N-(3-chloro-4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide
CID 120621387
2-(2-aminoethyl)-N-(4-fluoro-3-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 114839656
2-(2-aminoethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
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2-(2-aminoethyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 120622378
2-(2-aminoethyl)-N-(3-methyl-4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120635893
4-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-2-fluorobenzoic acid
CID 107795142
2-(2-aminoethyl)-N-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazole-4-carboxamide
CID 120630032

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-1,3-thiazole-4-carboxamide (CID 120647339) is 2-(2-aminoethyl)-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-1,3-thiazole-4-carboxamide is CN(C)c1nc2cc(NC(=O)c3csc(CCN)n3)ccc2o1.
What is the InChIKey of 2-(2-aminoethyl)-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is YDEBVZSNANJAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2S/c1-20(2)15-19-10-7-9(3-4-12(10)22-15)17-14(21)11-8-23-13(18-11)5-6-16/h3-4,7-8H,5-6,16H2,1-2H3,(H,17,21).
What are the key properties of 2-(2-aminoethyl)-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 331.40 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 120647339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).