N-[[4-cyclopropyl-2-(3,4-dimethylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine

C16H25N3S — CID 79178304

IUPACN-[[4-cyclopropyl-2-(3,4-dimethylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCC1CN(c2nc(C3CC3)c(CNC3CC3)s2)CC1C
InChIInChI=1S/C16H25N3S/c1-10-8-19(9-11(10)2)16-18-15(12-3-4-12)14(20-16)7-17-13-5-6-13/h10-13,17H,3-9H2,1-2H3
InChIKeySFDSPRYAPOGTOY-UHFFFAOYSA-N
MW291.46 g/mol
LogP3.36
Rot. Bonds5

About N-[[4-cyclopropyl-2-(3,4-dimethylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine

N-[[4-cyclopropyl-2-(3,4-dimethylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (PubChem CID 79178304) has the molecular formula C16H25N3S and a molecular weight of 291.46 g/mol. Its IUPAC name is N-[[4-cyclopropyl-2-(3,4-dimethylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-cyclopropyl-2-(3,4-dimethylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
PubChem CID79178304
Molecular FormulaC16H25N3S
Molecular Weight291.46 g/mol
Exact Mass291.18
IUPAC NameN-[[4-cyclopropyl-2-(3,4-dimethylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCC1CN(c2nc(C3CC3)c(CNC3CC3)s2)CC1C
InChIInChI=1S/C16H25N3S/c1-10-8-19(9-11(10)2)16-18-15(12-3-4-12)14(20-16)7-17-13-5-6-13/h10-13,17H,3-9H2,1-2H3
InChIKeySFDSPRYAPOGTOY-UHFFFAOYSA-N
XLogP3.36
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-cyclopropyl-2-(3,4-dimethylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-cyclopropyl-2-(3,4-dimethylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (CID 79178304) is N-[[4-cyclopropyl-2-(3,4-dimethylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-cyclopropyl-2-(3,4-dimethylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-cyclopropyl-2-(3,4-dimethylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is CC1CN(c2nc(C3CC3)c(CNC3CC3)s2)CC1C.
What is the InChIKey of N-[[4-cyclopropyl-2-(3,4-dimethylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The InChIKey is SFDSPRYAPOGTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3S/c1-10-8-19(9-11(10)2)16-18-15(12-3-4-12)14(20-16)7-17-13-5-6-13/h10-13,17H,3-9H2,1-2H3.
What are the key properties of N-[[4-cyclopropyl-2-(3,4-dimethylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
N-[[4-cyclopropyl-2-(3,4-dimethylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine has a molecular weight of 291.46 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-cyclopropyl-2-(3,4-dimethylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 79178304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).