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

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

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Related Compounds

4-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 71999812
1-[(1-cyclopropyltetrazol-5-yl)methyl]azocane
CID 47022227
2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]-1,4-diazepan-1-yl]ethanol
CID 63312298
4-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 37261653
4-[[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]methyl]benzonitrile
CID 43052578
2-[4-(2-bromoethyl)piperazin-1-yl]-1,3-thiazole
CID 61288747
4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]cyclohexan-1-amine
CID 62808150
1-[(1-cyclopropyltetrazol-5-yl)methyl]-4-[(3,4-dimethoxyphenyl)methyl]piperazine
CID 55551241
N-cyclopropyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 29439867
2-[4-(3-chloropropyl)piperazin-1-yl]-1,3-thiazole
CID 15743929
1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol
CID 60885531
5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1H-1,2,4-triazol-3-amine
CID 169040469

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).