1-(2-methyltetrazol-5-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol

C9H13N5OS — CID 107047760

IUPAC1-(2-methyltetrazol-5-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol
SMILESCc1csc(CC(O)Cc2nnn(C)n2)n1
InChIInChI=1S/C9H13N5OS/c1-6-5-16-9(10-6)4-7(15)3-8-11-13-14(2)12-8/h5,7,15H,3-4H2,1-2H3
InChIKeyNNNFITGKJHDKTP-UHFFFAOYSA-N
MW239.30 g/mol
LogP0.12
Rot. Bonds4

About 1-(2-methyltetrazol-5-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol

1-(2-methyltetrazol-5-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol (PubChem CID 107047760) has the molecular formula C9H13N5OS and a molecular weight of 239.30 g/mol. Its IUPAC name is 1-(2-methyltetrazol-5-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2-methyltetrazol-5-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol
PubChem CID107047760
Molecular FormulaC9H13N5OS
Molecular Weight239.30 g/mol
Exact Mass239.08
IUPAC Name1-(2-methyltetrazol-5-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol
SMILESCc1csc(CC(O)Cc2nnn(C)n2)n1
InChIInChI=1S/C9H13N5OS/c1-6-5-16-9(10-6)4-7(15)3-8-11-13-14(2)12-8/h5,7,15H,3-4H2,1-2H3
InChIKeyNNNFITGKJHDKTP-UHFFFAOYSA-N
XLogP0.12
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyltetrazol-5-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol?
The IUPAC name of 1-(2-methyltetrazol-5-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol (CID 107047760) is 1-(2-methyltetrazol-5-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol.
What is the SMILES notation for 1-(2-methyltetrazol-5-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol?
The canonical SMILES for 1-(2-methyltetrazol-5-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol is Cc1csc(CC(O)Cc2nnn(C)n2)n1.
What is the InChIKey of 1-(2-methyltetrazol-5-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol?
The InChIKey is NNNFITGKJHDKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5OS/c1-6-5-16-9(10-6)4-7(15)3-8-11-13-14(2)12-8/h5,7,15H,3-4H2,1-2H3.
What are the key properties of 1-(2-methyltetrazol-5-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol?
1-(2-methyltetrazol-5-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol has a molecular weight of 239.30 g/mol, XLogP of 0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyltetrazol-5-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol is sourced from PubChem (CID 107047760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).