4-methyl-2-pyridin-3-yl-5-(pyrrolidin-2-ylmethyl)-1,3-thiazole

C14H17N3S — CID 116885169

IUPAC4-methyl-2-pyridin-3-yl-5-(pyrrolidin-2-ylmethyl)-1,3-thiazole
SMILESCc1nc(-c2cccnc2)sc1CC1CCCN1
InChIInChI=1S/C14H17N3S/c1-10-13(8-12-5-3-7-16-12)18-14(17-10)11-4-2-6-15-9-11/h2,4,6,9,12,16H,3,5,7-8H2,1H3
InChIKeyQPBVVLQTQIQPJK-UHFFFAOYSA-N
MW259.38 g/mol
LogP2.81
Rot. Bonds3

About 4-methyl-2-pyridin-3-yl-5-(pyrrolidin-2-ylmethyl)-1,3-thiazole

4-methyl-2-pyridin-3-yl-5-(pyrrolidin-2-ylmethyl)-1,3-thiazole (PubChem CID 116885169) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is 4-methyl-2-pyridin-3-yl-5-(pyrrolidin-2-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-pyridin-3-yl-5-(pyrrolidin-2-ylmethyl)-1,3-thiazole
PubChem CID116885169
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC Name4-methyl-2-pyridin-3-yl-5-(pyrrolidin-2-ylmethyl)-1,3-thiazole
SMILESCc1nc(-c2cccnc2)sc1CC1CCCN1
InChIInChI=1S/C14H17N3S/c1-10-13(8-12-5-3-7-16-12)18-14(17-10)11-4-2-6-15-9-11/h2,4,6,9,12,16H,3,5,7-8H2,1H3
InChIKeyQPBVVLQTQIQPJK-UHFFFAOYSA-N
XLogP2.81
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-pyridin-4-yl-5-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 116885170
5-methyl-4-pyridin-3-yl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 116829043
4-methyl-5-(piperidin-2-ylmethyl)-2-(1H-pyrrol-3-yl)-1,3-thiazole
CID 136988576
N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine
CID 62404435
2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide
CID 23467885
5-(azetidin-3-yl)-4-methyl-2-pyridin-3-yl-1,3-thiazole
CID 116885014
1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)propan-2-one
CID 82289672
O-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]hydroxylamine
CID 143129382
N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 121122169
N,4-dimethyl-2-pyridin-3-yl-1,3-thiazol-5-amine
CID 59580850
3,5-dimethyl-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 121122475
N-methyl-1-[1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)cyclopropyl]methanamine
CID 116886932

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-pyridin-3-yl-5-(pyrrolidin-2-ylmethyl)-1,3-thiazole?
The IUPAC name of 4-methyl-2-pyridin-3-yl-5-(pyrrolidin-2-ylmethyl)-1,3-thiazole (CID 116885169) is 4-methyl-2-pyridin-3-yl-5-(pyrrolidin-2-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-pyridin-3-yl-5-(pyrrolidin-2-ylmethyl)-1,3-thiazole?
The canonical SMILES for 4-methyl-2-pyridin-3-yl-5-(pyrrolidin-2-ylmethyl)-1,3-thiazole is Cc1nc(-c2cccnc2)sc1CC1CCCN1.
What is the InChIKey of 4-methyl-2-pyridin-3-yl-5-(pyrrolidin-2-ylmethyl)-1,3-thiazole?
The InChIKey is QPBVVLQTQIQPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c1-10-13(8-12-5-3-7-16-12)18-14(17-10)11-4-2-6-15-9-11/h2,4,6,9,12,16H,3,5,7-8H2,1H3.
What are the key properties of 4-methyl-2-pyridin-3-yl-5-(pyrrolidin-2-ylmethyl)-1,3-thiazole?
4-methyl-2-pyridin-3-yl-5-(pyrrolidin-2-ylmethyl)-1,3-thiazole has a molecular weight of 259.38 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-pyridin-3-yl-5-(pyrrolidin-2-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 116885169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).