4-chloro-N-methyl-N-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-amine

C9H14ClN3S — CID 130598303

IUPAC4-chloro-N-methyl-N-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-amine
SMILESCN1CCC(N(C)c2nc(Cl)cs2)C1
InChIInChI=1S/C9H14ClN3S/c1-12-4-3-7(5-12)13(2)9-11-8(10)6-14-9/h6-7H,3-5H2,1-2H3
InChIKeyXRIGSEOVEKWPLH-UHFFFAOYSA-N
MW231.75 g/mol
LogP1.94
Rot. Bonds2

About 4-chloro-N-methyl-N-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-amine

4-chloro-N-methyl-N-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-amine (PubChem CID 130598303) has the molecular formula C9H14ClN3S and a molecular weight of 231.75 g/mol. Its IUPAC name is 4-chloro-N-methyl-N-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-chloro-N-methyl-N-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-amine
PubChem CID130598303
Molecular FormulaC9H14ClN3S
Molecular Weight231.75 g/mol
Exact Mass231.06
IUPAC Name4-chloro-N-methyl-N-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-amine
SMILESCN1CCC(N(C)c2nc(Cl)cs2)C1
InChIInChI=1S/C9H14ClN3S/c1-12-4-3-7(5-12)13(2)9-11-8(10)6-14-9/h6-7H,3-5H2,1-2H3
InChIKeyXRIGSEOVEKWPLH-UHFFFAOYSA-N
XLogP1.94
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.75
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-N-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-chloro-N-methyl-N-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-amine (CID 130598303) is 4-chloro-N-methyl-N-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-chloro-N-methyl-N-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-chloro-N-methyl-N-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-amine is CN1CCC(N(C)c2nc(Cl)cs2)C1.
What is the InChIKey of 4-chloro-N-methyl-N-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-amine?
The InChIKey is XRIGSEOVEKWPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3S/c1-12-4-3-7(5-12)13(2)9-11-8(10)6-14-9/h6-7H,3-5H2,1-2H3.
What are the key properties of 4-chloro-N-methyl-N-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-amine?
4-chloro-N-methyl-N-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-amine has a molecular weight of 231.75 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-N-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 130598303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).