3-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-amine

C11H19N3S — CID 107424127

IUPAC3-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-amine
SMILESCc1ncsc1CCNC1(C)CCNC1
InChIInChI=1S/C11H19N3S/c1-9-10(15-8-13-9)3-5-14-11(2)4-6-12-7-11/h8,12,14H,3-7H2,1-2H3
InChIKeyKVVFJZWXLXXGKQ-UHFFFAOYSA-N
MW225.36 g/mol
LogP1.34
Rot. Bonds4

About 3-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-amine

3-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-amine (PubChem CID 107424127) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 3-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name3-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-amine
PubChem CID107424127
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name3-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-amine
SMILESCc1ncsc1CCNC1(C)CCNC1
InChIInChI=1S/C11H19N3S/c1-9-10(15-8-13-9)3-5-14-11(2)4-6-12-7-11/h8,12,14H,3-7H2,1-2H3
InChIKeyKVVFJZWXLXXGKQ-UHFFFAOYSA-N
XLogP1.34
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methylpyrrolidin-3-yl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 63283666
1-[[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]cyclopentan-1-ol
CID 65108787
N-ethoxy-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 64687165
2,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclopropan-1-amine
CID 62070485
N,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119876575
5-[2-(2,8-diazaspiro[5.5]undecan-2-yl)ethyl]-4-methyl-1,3-thiazole
CID 102850296
3-[[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]oxolan-3-ol
CID 106100749
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63281046
N-ethyl-3-methylpyrrolidin-3-amine
CID 107423762
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]methanesulfonamide
CID 110718462
N-[(3-bromothiophen-2-yl)methyl]-3-methylpyrrolidin-3-amine
CID 107423728
N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methylpyrrolidin-3-amine
CID 107424714

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-amine?
The IUPAC name of 3-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-amine (CID 107424127) is 3-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-amine.
What is the SMILES notation for 3-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-amine?
The canonical SMILES for 3-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-amine is Cc1ncsc1CCNC1(C)CCNC1.
What is the InChIKey of 3-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-amine?
The InChIKey is KVVFJZWXLXXGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-9-10(15-8-13-9)3-5-14-11(2)4-6-12-7-11/h8,12,14H,3-7H2,1-2H3.
What are the key properties of 3-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-amine?
3-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-amine has a molecular weight of 225.36 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 107424127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).