5-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride

C16H21ClN6S — CID 120897858

IUPAC5-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCl.Nc1ncc(CN2CCN(Cc3cn4ccccc4n3)CC2)s1
InChIInChI=1S/C16H20N6S.ClH/c17-16-18-9-14(23-16)12-21-7-5-20(6-8-21)10-13-11-22-4-2-1-3-15(22)19-13;/h1-4,9,11H,5-8,10,12H2,(H2,17,18);1H
InChIKeyVKCDNNLSFJWKKE-UHFFFAOYSA-N
MW364.91 g/mol
LogP2.11
Rot. Bonds4

About 5-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride

5-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride (PubChem CID 120897858) has the molecular formula C16H21ClN6S and a molecular weight of 364.91 g/mol. Its IUPAC name is 5-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
PubChem CID120897858
Molecular FormulaC16H21ClN6S
Molecular Weight364.91 g/mol
Exact Mass364.12
IUPAC Name5-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCl.Nc1ncc(CN2CCN(Cc3cn4ccccc4n3)CC2)s1
InChIInChI=1S/C16H20N6S.ClH/c17-16-18-9-14(23-16)12-21-7-5-20(6-8-21)10-13-11-22-4-2-1-3-15(22)19-13;/h1-4,9,11H,5-8,10,12H2,(H2,17,18);1H
InChIKeyVKCDNNLSFJWKKE-UHFFFAOYSA-N
XLogP2.11
TPSA62.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.91
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 5-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride (CID 120897858) is 5-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 5-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride is Cl.Nc1ncc(CN2CCN(Cc3cn4ccccc4n3)CC2)s1.
What is the InChIKey of 5-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is VKCDNNLSFJWKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6S.ClH/c17-16-18-9-14(23-16)12-21-7-5-20(6-8-21)10-13-11-22-4-2-1-3-15(22)19-13;/h1-4,9,11H,5-8,10,12H2,(H2,17,18);1H.
What are the key properties of 5-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
5-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 364.91 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 120897858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).