2-(2-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide

C10H17N3OS — CID 66374744

IUPAC2-(2-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide
SMILESCCC(C)NC(=O)c1csc(CCN)n1
InChIInChI=1S/C10H17N3OS/c1-3-7(2)12-10(14)8-6-15-9(13-8)4-5-11/h6-7H,3-5,11H2,1-2H3,(H,12,14)
InChIKeySPVXJCASKXBJCB-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.17
Rot. Bonds5

About 2-(2-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide

2-(2-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 66374744) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide
PubChem CID66374744
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name2-(2-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide
SMILESCCC(C)NC(=O)c1csc(CCN)n1
InChIInChI=1S/C10H17N3OS/c1-3-7(2)12-10(14)8-6-15-9(13-8)4-5-11/h6-7H,3-5,11H2,1-2H3,(H,12,14)
InChIKeySPVXJCASKXBJCB-UHFFFAOYSA-N
XLogP1.17
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 120615972
2-(2-aminoethyl)-N-(1-ethylsulfonylpropan-2-yl)-1,3-thiazole-4-carboxamide
CID 120633185
2-(2-aminoethyl)-N-(2-methylpentan-3-yl)-1,3-thiazole-4-carboxamide
CID 66389532
2-(2-aminoethyl)-N-[5-(diethylamino)pentan-2-yl]-1,3-thiazole-4-carboxamide
CID 66373417
2-(2-aminoethyl)-N-(1-piperidin-1-ylpropan-2-yl)-1,3-thiazole-4-carboxamide
CID 66388857
2-(2-aminoethyl)-N-(1-cyclopropylpropan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120632758
methyl (2R)-2-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]propanoate;hydrochloride
CID 120632197
2-(1-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide
CID 66374745
2-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-3-hydroxybutanoic acid
CID 66391042
2-(2-aminoethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 66375134
2-(2-aminoethyl)-N-[1-(2-fluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120622303
2-(2-aminoethyl)-N-[(1S)-1-(4-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81356924

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide (CID 66374744) is 2-(2-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide is CCC(C)NC(=O)c1csc(CCN)n1.
What is the InChIKey of 2-(2-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is SPVXJCASKXBJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-3-7(2)12-10(14)8-6-15-9(13-8)4-5-11/h6-7H,3-5,11H2,1-2H3,(H,12,14).
What are the key properties of 2-(2-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 227.33 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66374744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).