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

C14H26ClN3OS — CID 120616584

IUPAC2-(2-aminoethyl)-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCC(C)(C)CC(C)(C)NC(=O)c1csc(CCN)n1.Cl
InChIInChI=1S/C14H25N3OS.ClH/c1-13(2,3)9-14(4,5)17-12(18)10-8-19-11(16-10)6-7-15;/h8H,6-7,9,15H2,1-5H3,(H,17,18);1H
InChIKeyDUWAWCVJZILSPD-UHFFFAOYSA-N
MW319.90 g/mol
LogP3.01
Rot. Bonds5

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

2-(2-aminoethyl)-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 120616584) has the molecular formula C14H26ClN3OS and a molecular weight of 319.90 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID120616584
Molecular FormulaC14H26ClN3OS
Molecular Weight319.90 g/mol
Exact Mass319.15
IUPAC Name2-(2-aminoethyl)-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCC(C)(C)CC(C)(C)NC(=O)c1csc(CCN)n1.Cl
InChIInChI=1S/C14H25N3OS.ClH/c1-13(2,3)9-14(4,5)17-12(18)10-8-19-11(16-10)6-7-15;/h8H,6-7,9,15H2,1-5H3,(H,17,18);1H
InChIKeyDUWAWCVJZILSPD-UHFFFAOYSA-N
XLogP3.01
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.90
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminoethyl)-N-tert-butyl-1,3-thiazole-4-carboxamide
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2-(2-aminoethyl)-N-(1-methoxy-2-methylpropan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
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ethyl 2-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-2-methylpropanoate
CID 120630693
2-(2-aminoethyl)-N-[2-methyl-1-(2-methylphenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
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2-(2-aminoethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 66375134
2-(2-aminoethyl)-N-[2-(tert-butylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide;hydrochloride
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N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(2-aminoethyl)-1,3-thiazole-4-carboxamide;hydrochloride
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2-(2-aminoethyl)-N-[(4-tert-butylphenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
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2-(2-aminoethyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]-1,3-thiazole-4-carboxamide
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2-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide;hydrochloride
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N,2-bis(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 66389522
2-[(4-methoxyphenyl)methyl]-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(2-aminoethyl)-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride (CID 120616584) is 2-(2-aminoethyl)-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(2-aminoethyl)-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(2-aminoethyl)-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride is CC(C)(C)CC(C)(C)NC(=O)c1csc(CCN)n1.Cl.
What is the InChIKey of 2-(2-aminoethyl)-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is DUWAWCVJZILSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS.ClH/c1-13(2,3)9-14(4,5)17-12(18)10-8-19-11(16-10)6-7-15;/h8H,6-7,9,15H2,1-5H3,(H,17,18);1H.
What are the key properties of 2-(2-aminoethyl)-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride?
2-(2-aminoethyl)-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 319.90 g/mol, XLogP of 3.01, 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-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120616584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).