2-ethyl-4-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole

C10H15N5S2 — CID 47145744

IUPAC2-ethyl-4-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole
SMILESCCc1nc(CSc2nnnn2C(C)C)cs1
InChIInChI=1S/C10H15N5S2/c1-4-9-11-8(5-16-9)6-17-10-12-13-14-15(10)7(2)3/h5,7H,4,6H2,1-3H3
InChIKeyBVSQCQVZTFVHSV-UHFFFAOYSA-N
MW269.40 g/mol
LogP2.57
Rot. Bonds5

About 2-ethyl-4-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole

2-ethyl-4-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole (PubChem CID 47145744) has the molecular formula C10H15N5S2 and a molecular weight of 269.40 g/mol. Its IUPAC name is 2-ethyl-4-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-ethyl-4-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole
PubChem CID47145744
Molecular FormulaC10H15N5S2
Molecular Weight269.40 g/mol
Exact Mass269.08
IUPAC Name2-ethyl-4-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole
SMILESCCc1nc(CSc2nnnn2C(C)C)cs1
InChIInChI=1S/C10H15N5S2/c1-4-9-11-8(5-16-9)6-17-10-12-13-14-15(10)7(2)3/h5,7H,4,6H2,1-3H3
InChIKeyBVSQCQVZTFVHSV-UHFFFAOYSA-N
XLogP2.57
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.40
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole?
The IUPAC name of 2-ethyl-4-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole (CID 47145744) is 2-ethyl-4-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole.
What is the SMILES notation for 2-ethyl-4-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole?
The canonical SMILES for 2-ethyl-4-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole is CCc1nc(CSc2nnnn2C(C)C)cs1.
What is the InChIKey of 2-ethyl-4-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole?
The InChIKey is BVSQCQVZTFVHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5S2/c1-4-9-11-8(5-16-9)6-17-10-12-13-14-15(10)7(2)3/h5,7H,4,6H2,1-3H3.
What are the key properties of 2-ethyl-4-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole?
2-ethyl-4-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole has a molecular weight of 269.40 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole is sourced from PubChem (CID 47145744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).