2-(1-aminoethyl)-N-[2-(dimethylamino)-3-ethylpentyl]-1,3-thiazole-4-carboxamide

C15H28N4OS — CID 66388934

IUPAC2-(1-aminoethyl)-N-[2-(dimethylamino)-3-ethylpentyl]-1,3-thiazole-4-carboxamide
SMILESCCC(CC)C(CNC(=O)c1csc(C(C)N)n1)N(C)C
InChIInChI=1S/C15H28N4OS/c1-6-11(7-2)13(19(4)5)8-17-14(20)12-9-21-15(18-12)10(3)16/h9-11,13H,6-8,16H2,1-5H3,(H,17,20)
InChIKeyNVJZTRIFWLCJKE-UHFFFAOYSA-N
MW312.48 g/mol
LogP2.26
Rot. Bonds8

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

2-(1-aminoethyl)-N-[2-(dimethylamino)-3-ethylpentyl]-1,3-thiazole-4-carboxamide (PubChem CID 66388934) has the molecular formula C15H28N4OS and a molecular weight of 312.48 g/mol. Its IUPAC name is 2-(1-aminoethyl)-N-[2-(dimethylamino)-3-ethylpentyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-aminoethyl)-N-[2-(dimethylamino)-3-ethylpentyl]-1,3-thiazole-4-carboxamide
PubChem CID66388934
Molecular FormulaC15H28N4OS
Molecular Weight312.48 g/mol
Exact Mass312.20
IUPAC Name2-(1-aminoethyl)-N-[2-(dimethylamino)-3-ethylpentyl]-1,3-thiazole-4-carboxamide
SMILESCCC(CC)C(CNC(=O)c1csc(C(C)N)n1)N(C)C
InChIInChI=1S/C15H28N4OS/c1-6-11(7-2)13(19(4)5)8-17-14(20)12-9-21-15(18-12)10(3)16/h9-11,13H,6-8,16H2,1-5H3,(H,17,20)
InChIKeyNVJZTRIFWLCJKE-UHFFFAOYSA-N
XLogP2.26
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-aminoethyl)-N-[3-(dimethylamino)propyl]-1,3-thiazole-4-carboxamide
CID 66374195
2-(1-aminoethyl)-N-(3-amino-2-hydroxy-3-oxopropyl)-1,3-thiazole-4-carboxamide
CID 106175806
2-(1-aminoethyl)-N-(cyclopropylmethyl)-1,3-thiazole-4-carboxamide
CID 66373599
2-(1-aminoethyl)-N-(2-hydroxy-3-methoxypropyl)-1,3-thiazole-4-carboxamide
CID 66389184
2-(1-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide
CID 66374745
2-(1-aminoethyl)-N-hydroxy-1,3-thiazole-4-carboxamide
CID 66389377
methyl 2-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-3-methylpentanoate
CID 66388109
2-(1-aminoethyl)-N-(3-propoxypropyl)-1,3-thiazole-4-carboxamide
CID 82939939
2-(1-aminoethyl)-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-1,3-thiazole-4-carboxamide
CID 103109128
2-(1-aminoethyl)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)-1,3-thiazole-4-carboxamide
CID 66388553
2-(1-aminoethyl)-N-(5-methylhexyl)-1,3-thiazole-4-carboxamide
CID 113287433
2-(1-aminoethyl)-N-(2-cyanoethyl)-1,3-thiazole-4-carboxamide
CID 66374975

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-N-[2-(dimethylamino)-3-ethylpentyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-aminoethyl)-N-[2-(dimethylamino)-3-ethylpentyl]-1,3-thiazole-4-carboxamide (CID 66388934) is 2-(1-aminoethyl)-N-[2-(dimethylamino)-3-ethylpentyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-aminoethyl)-N-[2-(dimethylamino)-3-ethylpentyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-aminoethyl)-N-[2-(dimethylamino)-3-ethylpentyl]-1,3-thiazole-4-carboxamide is CCC(CC)C(CNC(=O)c1csc(C(C)N)n1)N(C)C.
What is the InChIKey of 2-(1-aminoethyl)-N-[2-(dimethylamino)-3-ethylpentyl]-1,3-thiazole-4-carboxamide?
The InChIKey is NVJZTRIFWLCJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4OS/c1-6-11(7-2)13(19(4)5)8-17-14(20)12-9-21-15(18-12)10(3)16/h9-11,13H,6-8,16H2,1-5H3,(H,17,20).
What are the key properties of 2-(1-aminoethyl)-N-[2-(dimethylamino)-3-ethylpentyl]-1,3-thiazole-4-carboxamide?
2-(1-aminoethyl)-N-[2-(dimethylamino)-3-ethylpentyl]-1,3-thiazole-4-carboxamide has a molecular weight of 312.48 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-N-[2-(dimethylamino)-3-ethylpentyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66388934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).