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

C14H21N7S — CID 56778655

IUPAC2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]-2-methylpiperazin-1-yl]-4-methyl-1,3-thiazole
SMILESCc1csc(N2CCN(Cc3nnnn3C3CC3)CC2C)n1
InChIInChI=1S/C14H21N7S/c1-10-9-22-14(15-10)20-6-5-19(7-11(20)2)8-13-16-17-18-21(13)12-3-4-12/h9,11-12H,3-8H2,1-2H3
InChIKeyMKUXOGYRQUBCQF-UHFFFAOYSA-N
MW319.44 g/mol
LogP1.48
Rot. Bonds4

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

2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]-2-methylpiperazin-1-yl]-4-methyl-1,3-thiazole (PubChem CID 56778655) has the molecular formula C14H21N7S and a molecular weight of 319.44 g/mol. Its IUPAC name is 2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]-2-methylpiperazin-1-yl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]-2-methylpiperazin-1-yl]-4-methyl-1,3-thiazole
PubChem CID56778655
Molecular FormulaC14H21N7S
Molecular Weight319.44 g/mol
Exact Mass319.16
IUPAC Name2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]-2-methylpiperazin-1-yl]-4-methyl-1,3-thiazole
SMILESCc1csc(N2CCN(Cc3nnnn3C3CC3)CC2C)n1
InChIInChI=1S/C14H21N7S/c1-10-9-22-14(15-10)20-6-5-19(7-11(20)2)8-13-16-17-18-21(13)12-3-4-12/h9,11-12H,3-8H2,1-2H3
InChIKeyMKUXOGYRQUBCQF-UHFFFAOYSA-N
XLogP1.48
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.44
LogP ≤ 51.48
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]-2-methylpiperazin-1-yl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]-2-methylpiperazin-1-yl]-4-methyl-1,3-thiazole (CID 56778655) is 2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]-2-methylpiperazin-1-yl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]-2-methylpiperazin-1-yl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]-2-methylpiperazin-1-yl]-4-methyl-1,3-thiazole is Cc1csc(N2CCN(Cc3nnnn3C3CC3)CC2C)n1.
What is the InChIKey of 2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]-2-methylpiperazin-1-yl]-4-methyl-1,3-thiazole?
The InChIKey is MKUXOGYRQUBCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7S/c1-10-9-22-14(15-10)20-6-5-19(7-11(20)2)8-13-16-17-18-21(13)12-3-4-12/h9,11-12H,3-8H2,1-2H3.
What are the key properties of 2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]-2-methylpiperazin-1-yl]-4-methyl-1,3-thiazole?
2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]-2-methylpiperazin-1-yl]-4-methyl-1,3-thiazole has a molecular weight of 319.44 g/mol, XLogP of 1.48, 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]-2-methylpiperazin-1-yl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 56778655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).