2-cyclopropyl-5-[3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrazol-1-yl]-1,3,4-thiadiazole

C17H14N6S2 — CID 58416084

IUPAC2-cyclopropyl-5-[3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrazol-1-yl]-1,3,4-thiadiazole
SMILESCc1nc(-c2cccnc2)sc1-c1ccn(-c2nnc(C3CC3)s2)n1
InChIInChI=1S/C17H14N6S2/c1-10-14(24-15(19-10)12-3-2-7-18-9-12)13-6-8-23(22-13)17-21-20-16(25-17)11-4-5-11/h2-3,6-9,11H,4-5H2,1H3
InChIKeySROQTQGAUAQPKA-UHFFFAOYSA-N
MW366.48 g/mol
LogP4.10
Rot. Bonds4

About 2-cyclopropyl-5-[3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrazol-1-yl]-1,3,4-thiadiazole

2-cyclopropyl-5-[3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrazol-1-yl]-1,3,4-thiadiazole (PubChem CID 58416084) has the molecular formula C17H14N6S2 and a molecular weight of 366.48 g/mol. Its IUPAC name is 2-cyclopropyl-5-[3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrazol-1-yl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-cyclopropyl-5-[3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrazol-1-yl]-1,3,4-thiadiazole
PubChem CID58416084
Molecular FormulaC17H14N6S2
Molecular Weight366.48 g/mol
Exact Mass366.07
IUPAC Name2-cyclopropyl-5-[3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrazol-1-yl]-1,3,4-thiadiazole
SMILESCc1nc(-c2cccnc2)sc1-c1ccn(-c2nnc(C3CC3)s2)n1
InChIInChI=1S/C17H14N6S2/c1-10-14(24-15(19-10)12-3-2-7-18-9-12)13-6-8-23(22-13)17-21-20-16(25-17)11-4-5-11/h2-3,6-9,11H,4-5H2,1H3
InChIKeySROQTQGAUAQPKA-UHFFFAOYSA-N
XLogP4.10
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

5-[1-(3-but-3-yn-2-yl-2-pyridinyl)pyrazol-3-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole
CID 143925389
2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5-pyridin-3-yl-1,3,4-oxadiazole
CID 127050732
2-(4-methylphenyl)-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
CID 127050739
N-(1-methoxypropan-2-yl)-3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrazole-1-carboxamide
CID 58416174
4-methyl-5-(2-pyrazin-2-ylpyrimidin-4-yl)-2-pyridin-3-yl-1,3-thiazole
CID 58416167
3-methyl-6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrazolo[5,4-b]pyridine-1-carboxamide
CID 123417106
4-methyl-5-(1H-pyrazol-5-yl)-2-pyridin-3-yl-1,3-thiazole
CID 58416122
5-(azetidin-3-yl)-4-methyl-2-pyridin-3-yl-1,3-thiazole
CID 116885014
N-(1-methoxybutan-2-yl)-3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrazole-1-carboxamide
CID 58416117
4-methyl-5-(5-methyl-8-nitroso-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-2-yl)-2-pyridin-3-yl-1,3-thiazole
CID 123619020
3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)aniline
CID 116885240
N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine
CID 62404435

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrazol-1-yl]-1,3,4-thiadiazole?
The IUPAC name of 2-cyclopropyl-5-[3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrazol-1-yl]-1,3,4-thiadiazole (CID 58416084) is 2-cyclopropyl-5-[3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrazol-1-yl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-cyclopropyl-5-[3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrazol-1-yl]-1,3,4-thiadiazole?
The canonical SMILES for 2-cyclopropyl-5-[3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrazol-1-yl]-1,3,4-thiadiazole is Cc1nc(-c2cccnc2)sc1-c1ccn(-c2nnc(C3CC3)s2)n1.
What is the InChIKey of 2-cyclopropyl-5-[3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrazol-1-yl]-1,3,4-thiadiazole?
The InChIKey is SROQTQGAUAQPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6S2/c1-10-14(24-15(19-10)12-3-2-7-18-9-12)13-6-8-23(22-13)17-21-20-16(25-17)11-4-5-11/h2-3,6-9,11H,4-5H2,1H3.
What are the key properties of 2-cyclopropyl-5-[3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrazol-1-yl]-1,3,4-thiadiazole?
2-cyclopropyl-5-[3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrazol-1-yl]-1,3,4-thiadiazole has a molecular weight of 366.48 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrazol-1-yl]-1,3,4-thiadiazole is sourced from PubChem (CID 58416084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).