2-(2-aminoethyl)-N-[3-(1-ethyltetrazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride

C15H18ClN7OS — CID 120634528

IUPAC2-(2-aminoethyl)-N-[3-(1-ethyltetrazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCCn1nnnc1-c1cccc(NC(=O)c2csc(CCN)n2)c1.Cl
InChIInChI=1S/C15H17N7OS.ClH/c1-2-22-14(19-20-21-22)10-4-3-5-11(8-10)17-15(23)12-9-24-13(18-12)6-7-16;/h3-5,8-9H,2,6-7,16H2,1H3,(H,17,23);1H
InChIKeyTWQXUUCOTQLMKH-UHFFFAOYSA-N
MW379.88 g/mol
LogP1.99
Rot. Bonds6

About 2-(2-aminoethyl)-N-[3-(1-ethyltetrazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride

2-(2-aminoethyl)-N-[3-(1-ethyltetrazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 120634528) has the molecular formula C15H18ClN7OS and a molecular weight of 379.88 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[3-(1-ethyltetrazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[3-(1-ethyltetrazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID120634528
Molecular FormulaC15H18ClN7OS
Molecular Weight379.88 g/mol
Exact Mass379.10
IUPAC Name2-(2-aminoethyl)-N-[3-(1-ethyltetrazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCCn1nnnc1-c1cccc(NC(=O)c2csc(CCN)n2)c1.Cl
InChIInChI=1S/C15H17N7OS.ClH/c1-2-22-14(19-20-21-22)10-4-3-5-11(8-10)17-15(23)12-9-24-13(18-12)6-7-16;/h3-5,8-9H,2,6-7,16H2,1H3,(H,17,23);1H
InChIKeyTWQXUUCOTQLMKH-UHFFFAOYSA-N
XLogP1.99
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.88
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 3-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]benzoate;hydrochloride
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CID 120617267
2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[3-(1-ethyltetrazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(2-aminoethyl)-N-[3-(1-ethyltetrazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride (CID 120634528) is 2-(2-aminoethyl)-N-[3-(1-ethyltetrazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(2-aminoethyl)-N-[3-(1-ethyltetrazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(2-aminoethyl)-N-[3-(1-ethyltetrazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride is CCn1nnnc1-c1cccc(NC(=O)c2csc(CCN)n2)c1.Cl.
What is the InChIKey of 2-(2-aminoethyl)-N-[3-(1-ethyltetrazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is TWQXUUCOTQLMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7OS.ClH/c1-2-22-14(19-20-21-22)10-4-3-5-11(8-10)17-15(23)12-9-24-13(18-12)6-7-16;/h3-5,8-9H,2,6-7,16H2,1H3,(H,17,23);1H.
What are the key properties of 2-(2-aminoethyl)-N-[3-(1-ethyltetrazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride?
2-(2-aminoethyl)-N-[3-(1-ethyltetrazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 379.88 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[3-(1-ethyltetrazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120634528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).