4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-methyl-1,3-thiazole

C9H10N4S — CID 65198619

IUPAC4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-methyl-1,3-thiazole
SMILESCc1nc(-c2n[nH]c(C3CC3)n2)cs1
InChIInChI=1S/C9H10N4S/c1-5-10-7(4-14-5)9-11-8(12-13-9)6-2-3-6/h4,6H,2-3H2,1H3,(H,11,12,13)
InChIKeyVFMKPWZTWVCQAL-UHFFFAOYSA-N
MW206.27 g/mol
LogP2.11
Rot. Bonds2

About 4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-methyl-1,3-thiazole

4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-methyl-1,3-thiazole (PubChem CID 65198619) has the molecular formula C9H10N4S and a molecular weight of 206.27 g/mol. Its IUPAC name is 4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-methyl-1,3-thiazole
PubChem CID65198619
Molecular FormulaC9H10N4S
Molecular Weight206.27 g/mol
Exact Mass206.06
IUPAC Name4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-methyl-1,3-thiazole
SMILESCc1nc(-c2n[nH]c(C3CC3)n2)cs1
InChIInChI=1S/C9H10N4S/c1-5-10-7(4-14-5)9-11-8(12-13-9)6-2-3-6/h4,6H,2-3H2,1H3,(H,11,12,13)
InChIKeyVFMKPWZTWVCQAL-UHFFFAOYSA-N
XLogP2.11
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-methyl-1,3-thiazole?
The IUPAC name of 4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-methyl-1,3-thiazole (CID 65198619) is 4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-methyl-1,3-thiazole?
The canonical SMILES for 4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-methyl-1,3-thiazole is Cc1nc(-c2n[nH]c(C3CC3)n2)cs1.
What is the InChIKey of 4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-methyl-1,3-thiazole?
The InChIKey is VFMKPWZTWVCQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4S/c1-5-10-7(4-14-5)9-11-8(12-13-9)6-2-3-6/h4,6H,2-3H2,1H3,(H,11,12,13).
What are the key properties of 4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-methyl-1,3-thiazole?
4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-methyl-1,3-thiazole has a molecular weight of 206.27 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-methyl-1,3-thiazole is sourced from PubChem (CID 65198619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).