2-(2-aminoethyl)-N-(cyclopropylmethyl)-N-propyl-1,3-thiazole-4-carboxamide;hydrochloride

C13H22ClN3OS — CID 120616809

IUPAC2-(2-aminoethyl)-N-(cyclopropylmethyl)-N-propyl-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCCCN(CC1CC1)C(=O)c1csc(CCN)n1.Cl
InChIInChI=1S/C13H21N3OS.ClH/c1-2-7-16(8-10-3-4-10)13(17)11-9-18-12(15-11)5-6-14;/h9-10H,2-8,14H2,1H3;1H
InChIKeyGJTHQVBSAMEHNM-UHFFFAOYSA-N
MW303.86 g/mol
LogP2.33
Rot. Bonds7

About 2-(2-aminoethyl)-N-(cyclopropylmethyl)-N-propyl-1,3-thiazole-4-carboxamide;hydrochloride

2-(2-aminoethyl)-N-(cyclopropylmethyl)-N-propyl-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 120616809) has the molecular formula C13H22ClN3OS and a molecular weight of 303.86 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-(cyclopropylmethyl)-N-propyl-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-(cyclopropylmethyl)-N-propyl-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID120616809
Molecular FormulaC13H22ClN3OS
Molecular Weight303.86 g/mol
Exact Mass303.12
IUPAC Name2-(2-aminoethyl)-N-(cyclopropylmethyl)-N-propyl-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCCCN(CC1CC1)C(=O)c1csc(CCN)n1.Cl
InChIInChI=1S/C13H21N3OS.ClH/c1-2-7-16(8-10-3-4-10)13(17)11-9-18-12(15-11)5-6-14;/h9-10H,2-8,14H2,1H3;1H
InChIKeyGJTHQVBSAMEHNM-UHFFFAOYSA-N
XLogP2.33
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.86
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminoethyl)-N-(cyclopropylmethyl)-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride
CID 120624157
2-(2-aminoethyl)-N-(cyclopentylmethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 66389758
2-(aminomethyl)-N-(cyclopropylmethyl)-N-(3,3,3-trifluoropropyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119820496
2-(2-aminoethyl)-N-(cyclohexylmethyl)-N-cyclopropyl-1,3-thiazole-4-carboxamide
CID 66389102
2-(2-aminoethyl)-N-cyclopentyl-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide
CID 66388908
2-(2-aminoethyl)-N,N-bis(prop-2-enyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120616267
2-(2-aminoethyl)-N-pentan-2-yl-N-pentyl-1,3-thiazole-4-carboxamide;hydrochloride
CID 120626179
2-(2-aminoethyl)-N-(1-cyclopropylpropan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120632758
2-(2-aminoethyl)-N-(2-ethoxyethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 81059550
2-(2-aminoethyl)-N-[2-(diethylamino)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120639262
2-(2-aminoethyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 66389490
2-(2-aminoethyl)-N-(1-phenylpentan-2-yl)-N-propyl-1,3-thiazole-4-carboxamide;hydrochloride
CID 120630650

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-(cyclopropylmethyl)-N-propyl-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(2-aminoethyl)-N-(cyclopropylmethyl)-N-propyl-1,3-thiazole-4-carboxamide;hydrochloride (CID 120616809) is 2-(2-aminoethyl)-N-(cyclopropylmethyl)-N-propyl-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(2-aminoethyl)-N-(cyclopropylmethyl)-N-propyl-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(2-aminoethyl)-N-(cyclopropylmethyl)-N-propyl-1,3-thiazole-4-carboxamide;hydrochloride is CCCN(CC1CC1)C(=O)c1csc(CCN)n1.Cl.
What is the InChIKey of 2-(2-aminoethyl)-N-(cyclopropylmethyl)-N-propyl-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is GJTHQVBSAMEHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS.ClH/c1-2-7-16(8-10-3-4-10)13(17)11-9-18-12(15-11)5-6-14;/h9-10H,2-8,14H2,1H3;1H.
What are the key properties of 2-(2-aminoethyl)-N-(cyclopropylmethyl)-N-propyl-1,3-thiazole-4-carboxamide;hydrochloride?
2-(2-aminoethyl)-N-(cyclopropylmethyl)-N-propyl-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 303.86 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-(cyclopropylmethyl)-N-propyl-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120616809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).