N-methyl-5-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine

C10H17N3S — CID 139500705

IUPACN-methyl-5-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
SMILESCNc1ncc(CN2CCCC2C)s1
InChIInChI=1S/C10H17N3S/c1-8-4-3-5-13(8)7-9-6-12-10(11-2)14-9/h6,8H,3-5,7H2,1-2H3,(H,11,12)
InChIKeyMMCVWARDUKNNAI-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.17
Rot. Bonds3

About N-methyl-5-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine

N-methyl-5-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 139500705) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is N-methyl-5-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
PubChem CID139500705
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC NameN-methyl-5-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
SMILESCNc1ncc(CN2CCCC2C)s1
InChIInChI=1S/C10H17N3S/c1-8-4-3-5-13(8)7-9-6-12-10(11-2)14-9/h6,8H,3-5,7H2,1-2H3,(H,11,12)
InChIKeyMMCVWARDUKNNAI-UHFFFAOYSA-N
XLogP2.17
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-5-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine (CID 139500705) is N-methyl-5-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-5-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-5-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine is CNc1ncc(CN2CCCC2C)s1.
What is the InChIKey of N-methyl-5-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is MMCVWARDUKNNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-8-4-3-5-13(8)7-9-6-12-10(11-2)14-9/h6,8H,3-5,7H2,1-2H3,(H,11,12).
What are the key properties of N-methyl-5-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine?
N-methyl-5-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 211.33 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 139500705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).