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

C13H17N3S2 — CID 55173150

IUPACN-methyl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine
SMILESCN(Cc1csc(-c2ccsc2)n1)C1CCNC1
InChIInChI=1S/C13H17N3S2/c1-16(12-2-4-14-6-12)7-11-9-18-13(15-11)10-3-5-17-8-10/h3,5,8-9,12,14H,2,4,6-7H2,1H3
InChIKeySSOGEFDGISZOQL-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.67
Rot. Bonds4

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

N-methyl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine (PubChem CID 55173150) has the molecular formula C13H17N3S2 and a molecular weight of 279.43 g/mol. Its IUPAC name is N-methyl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-methyl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine
PubChem CID55173150
Molecular FormulaC13H17N3S2
Molecular Weight279.43 g/mol
Exact Mass279.09
IUPAC NameN-methyl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine
SMILESCN(Cc1csc(-c2ccsc2)n1)C1CCNC1
InChIInChI=1S/C13H17N3S2/c1-16(12-2-4-14-6-12)7-11-9-18-13(15-11)10-3-5-17-8-10/h3,5,8-9,12,14H,2,4,6-7H2,1H3
InChIKeySSOGEFDGISZOQL-UHFFFAOYSA-N
XLogP2.67
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of N-methyl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine (CID 55173150) is N-methyl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for N-methyl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for N-methyl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine is CN(Cc1csc(-c2ccsc2)n1)C1CCNC1.
What is the InChIKey of N-methyl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine?
The InChIKey is SSOGEFDGISZOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S2/c1-16(12-2-4-14-6-12)7-11-9-18-13(15-11)10-3-5-17-8-10/h3,5,8-9,12,14H,2,4,6-7H2,1H3.
What are the key properties of N-methyl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine?
N-methyl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine has a molecular weight of 279.43 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 55173150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).