(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone

C20H19N7OS2 — CID 43073602

IUPAC(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
SMILESCc1nc(-c2ccsc2)sc1C(=O)N1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C20H19N7OS2/c1-14-17(30-18(21-14)15-7-12-29-13-15)19(28)25-8-10-26(11-9-25)20-22-23-24-27(20)16-5-3-2-4-6-16/h2-7,12-13H,8-11H2,1H3
InChIKeyMOSIBDNFMBGKDF-UHFFFAOYSA-N
MW437.55 g/mol
LogP3.12
Rot. Bonds4

About (4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone

(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone (PubChem CID 43073602) has the molecular formula C20H19N7OS2 and a molecular weight of 437.55 g/mol. Its IUPAC name is (4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
PubChem CID43073602
Molecular FormulaC20H19N7OS2
Molecular Weight437.55 g/mol
Exact Mass437.11
IUPAC Name(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
SMILESCc1nc(-c2ccsc2)sc1C(=O)N1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C20H19N7OS2/c1-14-17(30-18(21-14)15-7-12-29-13-15)19(28)25-8-10-26(11-9-25)20-22-23-24-27(20)16-5-3-2-4-6-16/h2-7,12-13H,8-11H2,1H3
InChIKeyMOSIBDNFMBGKDF-UHFFFAOYSA-N
XLogP3.12
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.55
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone?
The IUPAC name of (4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone (CID 43073602) is (4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone?
The canonical SMILES for (4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone is Cc1nc(-c2ccsc2)sc1C(=O)N1CCN(c2nnnn2-c2ccccc2)CC1.
What is the InChIKey of (4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone?
The InChIKey is MOSIBDNFMBGKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7OS2/c1-14-17(30-18(21-14)15-7-12-29-13-15)19(28)25-8-10-26(11-9-25)20-22-23-24-27(20)16-5-3-2-4-6-16/h2-7,12-13H,8-11H2,1H3.
What are the key properties of (4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone?
(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone has a molecular weight of 437.55 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 43073602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).