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

C10H17N3OS — CID 66374745

IUPAC2-(1-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide
SMILESCCC(C)NC(=O)c1csc(C(C)N)n1
InChIInChI=1S/C10H17N3OS/c1-4-6(2)12-9(14)8-5-15-10(13-8)7(3)11/h5-7H,4,11H2,1-3H3,(H,12,14)
InChIKeyRMONJZUUDIITFO-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.69
Rot. Bonds4

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

2-(1-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 66374745) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 2-(1-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide
PubChem CID66374745
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name2-(1-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide
SMILESCCC(C)NC(=O)c1csc(C(C)N)n1
InChIInChI=1S/C10H17N3OS/c1-4-6(2)12-9(14)8-5-15-10(13-8)7(3)11/h5-7H,4,11H2,1-3H3,(H,12,14)
InChIKeyRMONJZUUDIITFO-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-aminoethyl)-N-(1-hydroxypropan-2-yl)-1,3-thiazole-4-carboxamide
CID 66375369
2-(1-aminoethyl)-N-(6-methylheptan-2-yl)-1,3-thiazole-4-carboxamide
CID 66390481
methyl 2-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-3-methylpentanoate
CID 66388109
2-[(1S)-1-[[2-[(1S)-1-aminoethyl]-1,3-thiazole-4-carbonyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid;hydrochloride
CID 16720895
2-(2-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide
CID 66374744
2-(1-aminoethyl)-N-hydroxy-1,3-thiazole-4-carboxamide
CID 66389377
2-(1-aminoethyl)-N-[1-(1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide
CID 66389189
2-(2-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 120615972
2-(1-aminoethyl)-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-1,3-thiazole-4-carboxamide
CID 103109128
2-(1-aminoethyl)-N-(cyclopropylmethyl)-1,3-thiazole-4-carboxamide
CID 66373599
2-(1-aminoethyl)-N-[(1S)-1-phenylethyl]-1,3-thiazole-4-carboxamide
CID 66388213
2-(1-aminoethyl)-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-1,3-thiazole-4-carboxamide
CID 66389833

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide (CID 66374745) is 2-(1-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide is CCC(C)NC(=O)c1csc(C(C)N)n1.
What is the InChIKey of 2-(1-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is RMONJZUUDIITFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-4-6(2)12-9(14)8-5-15-10(13-8)7(3)11/h5-7H,4,11H2,1-3H3,(H,12,14).
What are the key properties of 2-(1-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide?
2-(1-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 227.33 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66374745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).