2-(2-aminoethyl)-N-(1-cyclopropylpropan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride

C12H20ClN3OS — CID 120632758

IUPAC2-(2-aminoethyl)-N-(1-cyclopropylpropan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCC(CC1CC1)NC(=O)c1csc(CCN)n1.Cl
InChIInChI=1S/C12H19N3OS.ClH/c1-8(6-9-2-3-9)14-12(16)10-7-17-11(15-10)4-5-13;/h7-9H,2-6,13H2,1H3,(H,14,16);1H
InChIKeyALDGUUFURLHHHH-UHFFFAOYSA-N
MW289.83 g/mol
LogP1.98
Rot. Bonds6

About 2-(2-aminoethyl)-N-(1-cyclopropylpropan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride

2-(2-aminoethyl)-N-(1-cyclopropylpropan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 120632758) has the molecular formula C12H20ClN3OS and a molecular weight of 289.83 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-(1-cyclopropylpropan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-(1-cyclopropylpropan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID120632758
Molecular FormulaC12H20ClN3OS
Molecular Weight289.83 g/mol
Exact Mass289.10
IUPAC Name2-(2-aminoethyl)-N-(1-cyclopropylpropan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCC(CC1CC1)NC(=O)c1csc(CCN)n1.Cl
InChIInChI=1S/C12H19N3OS.ClH/c1-8(6-9-2-3-9)14-12(16)10-7-17-11(15-10)4-5-13;/h7-9H,2-6,13H2,1H3,(H,14,16);1H
InChIKeyALDGUUFURLHHHH-UHFFFAOYSA-N
XLogP1.98
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.83
LogP ≤ 51.98
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-butan-2-yl-1,3-thiazole-4-carboxamide
CID 66374744
2-(2-aminoethyl)-N-(1-ethylsulfonylpropan-2-yl)-1,3-thiazole-4-carboxamide
CID 120633185
2-(2-aminoethyl)-N-[1-(oxolan-3-yloxy)propan-2-yl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120637561
methyl (2R)-2-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]propanoate;hydrochloride
CID 120632197
2-(2-aminoethyl)-N-(4-propan-2-ylcyclohexyl)-1,3-thiazole-4-carboxamide
CID 120637442
2-(2-aminoethyl)-N-(1-piperidin-1-ylpropan-2-yl)-1,3-thiazole-4-carboxamide
CID 66388857
2-(2-aminoethyl)-N-(2-methylpentan-3-yl)-1,3-thiazole-4-carboxamide
CID 66389532
2-(2-aminoethyl)-N-[1-(2-fluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120622303
2-(2-aminoethyl)-N-[5-(diethylamino)pentan-2-yl]-1,3-thiazole-4-carboxamide
CID 66373417
2-(2-aminoethyl)-N-(1-cyclobutylpentyl)-1,3-thiazole-4-carboxamide
CID 120633626
2-(2-aminoethyl)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]-1,3-thiazole-4-carboxamide
CID 120622071

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-(1-cyclopropylpropan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(2-aminoethyl)-N-(1-cyclopropylpropan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride (CID 120632758) is 2-(2-aminoethyl)-N-(1-cyclopropylpropan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(2-aminoethyl)-N-(1-cyclopropylpropan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(2-aminoethyl)-N-(1-cyclopropylpropan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride is CC(CC1CC1)NC(=O)c1csc(CCN)n1.Cl.
What is the InChIKey of 2-(2-aminoethyl)-N-(1-cyclopropylpropan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is ALDGUUFURLHHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS.ClH/c1-8(6-9-2-3-9)14-12(16)10-7-17-11(15-10)4-5-13;/h7-9H,2-6,13H2,1H3,(H,14,16);1H.
What are the key properties of 2-(2-aminoethyl)-N-(1-cyclopropylpropan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride?
2-(2-aminoethyl)-N-(1-cyclopropylpropan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 289.83 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-(1-cyclopropylpropan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120632758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).