2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]-1,3-thiazole

C12H17N7S — CID 37258852

IUPAC2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]-1,3-thiazole
SMILESc1csc(N2CCN(Cc3nnnn3C3CC3)CC2)n1
InChIInChI=1S/C12H17N7S/c1-2-10(1)19-11(14-15-16-19)9-17-4-6-18(7-5-17)12-13-3-8-20-12/h3,8,10H,1-2,4-7,9H2
InChIKeyGDGAXVMRFVKOAN-UHFFFAOYSA-N
MW291.38 g/mol
LogP0.79
Rot. Bonds4

About 2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]-1,3-thiazole

2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]-1,3-thiazole (PubChem CID 37258852) has the molecular formula C12H17N7S and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]-1,3-thiazole
PubChem CID37258852
Molecular FormulaC12H17N7S
Molecular Weight291.38 g/mol
Exact Mass291.13
IUPAC Name2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]-1,3-thiazole
SMILESc1csc(N2CCN(Cc3nnnn3C3CC3)CC2)n1
InChIInChI=1S/C12H17N7S/c1-2-10(1)19-11(14-15-16-19)9-17-4-6-18(7-5-17)12-13-3-8-20-12/h3,8,10H,1-2,4-7,9H2
InChIKeyGDGAXVMRFVKOAN-UHFFFAOYSA-N
XLogP0.79
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]-1,3-thiazole?
The IUPAC name of 2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]-1,3-thiazole (CID 37258852) is 2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]-1,3-thiazole?
The canonical SMILES for 2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]-1,3-thiazole is c1csc(N2CCN(Cc3nnnn3C3CC3)CC2)n1.
What is the InChIKey of 2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]-1,3-thiazole?
The InChIKey is GDGAXVMRFVKOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N7S/c1-2-10(1)19-11(14-15-16-19)9-17-4-6-18(7-5-17)12-13-3-8-20-12/h3,8,10H,1-2,4-7,9H2.
What are the key properties of 2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]-1,3-thiazole?
2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]-1,3-thiazole has a molecular weight of 291.38 g/mol, XLogP of 0.79, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]-1,3-thiazole is sourced from PubChem (CID 37258852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).