4-(chloromethyl)-2-pyrimidin-2-yl-1,3-thiazole

C8H6ClN3S — CID 43622191

IUPAC4-(chloromethyl)-2-pyrimidin-2-yl-1,3-thiazole
SMILESClCc1csc(-c2ncccn2)n1
InChIInChI=1S/C8H6ClN3S/c9-4-6-5-13-8(12-6)7-10-2-1-3-11-7/h1-3,5H,4H2
InChIKeyFNBLVIJYQKKYGX-UHFFFAOYSA-N
MW211.68 g/mol
LogP2.34
Rot. Bonds2

About 4-(chloromethyl)-2-pyrimidin-2-yl-1,3-thiazole

4-(chloromethyl)-2-pyrimidin-2-yl-1,3-thiazole (PubChem CID 43622191) has the molecular formula C8H6ClN3S and a molecular weight of 211.68 g/mol. Its IUPAC name is 4-(chloromethyl)-2-pyrimidin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-pyrimidin-2-yl-1,3-thiazole
PubChem CID43622191
Molecular FormulaC8H6ClN3S
Molecular Weight211.68 g/mol
Exact Mass211.00
IUPAC Name4-(chloromethyl)-2-pyrimidin-2-yl-1,3-thiazole
SMILESClCc1csc(-c2ncccn2)n1
InChIInChI=1S/C8H6ClN3S/c9-4-6-5-13-8(12-6)7-10-2-1-3-11-7/h1-3,5H,4H2
InChIKeyFNBLVIJYQKKYGX-UHFFFAOYSA-N
XLogP2.34
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.68
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-[(2,6-dichlorophenoxy)methyl]-2-pyrimidin-2-yl-1,3-thiazole
CID 47057574
4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
CID 47052276
N-methylsulfanyl-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanamine
CID 123831691
4-(chloromethyl)-2-pyrazin-2-yl-1,3-thiazole
CID 23025076
(2S,6R)-2,6-dimethyl-4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]morpholine
CID 94380497
4-(chloromethyl)-2-quinolin-2-yl-1,3-thiazole
CID 63222410
4-(chloromethyl)-2-(5-fluoro-2-pyridinyl)-1,3-thiazole
CID 79719140
2-(2-chloro-3-pyridinyl)-4-ethyl-1,3-thiazole
CID 97058354
2-(4-bromothiophen-3-yl)-4-(chloromethyl)-1,3-thiazole
CID 130157549
3-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 47058114
1-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]benzo[cd]indol-2-one
CID 51093406
4-[1-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]phenol
CID 75405830

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-pyrimidin-2-yl-1,3-thiazole?
The IUPAC name of 4-(chloromethyl)-2-pyrimidin-2-yl-1,3-thiazole (CID 43622191) is 4-(chloromethyl)-2-pyrimidin-2-yl-1,3-thiazole.
What is the SMILES notation for 4-(chloromethyl)-2-pyrimidin-2-yl-1,3-thiazole?
The canonical SMILES for 4-(chloromethyl)-2-pyrimidin-2-yl-1,3-thiazole is ClCc1csc(-c2ncccn2)n1.
What is the InChIKey of 4-(chloromethyl)-2-pyrimidin-2-yl-1,3-thiazole?
The InChIKey is FNBLVIJYQKKYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3S/c9-4-6-5-13-8(12-6)7-10-2-1-3-11-7/h1-3,5H,4H2.
What are the key properties of 4-(chloromethyl)-2-pyrimidin-2-yl-1,3-thiazole?
4-(chloromethyl)-2-pyrimidin-2-yl-1,3-thiazole has a molecular weight of 211.68 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-pyrimidin-2-yl-1,3-thiazole is sourced from PubChem (CID 43622191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).