N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine

C14H23N3S — CID 60855473

IUPACN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
SMILESCc1ncsc1C(C)NCC1CCN(C2CC2)C1
InChIInChI=1S/C14H23N3S/c1-10(14-11(2)16-9-18-14)15-7-12-5-6-17(8-12)13-3-4-13/h9-10,12-13,15H,3-8H2,1-2H3
InChIKeyQNCXCSMTMRTWKW-UHFFFAOYSA-N
MW265.43 g/mol
LogP2.59
Rot. Bonds5

About N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine

N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine (PubChem CID 60855473) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
PubChem CID60855473
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC NameN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
SMILESCc1ncsc1C(C)NCC1CCN(C2CC2)C1
InChIInChI=1S/C14H23N3S/c1-10(14-11(2)16-9-18-14)15-7-12-5-6-17(8-12)13-3-4-13/h9-10,12-13,15H,3-8H2,1-2H3
InChIKeyQNCXCSMTMRTWKW-UHFFFAOYSA-N
XLogP2.59
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopentylmethyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 43775593
1-cyclopropyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-amine
CID 43791348
1-(4-methyl-1,3-thiazol-5-yl)-N-(thian-4-ylmethyl)ethanamine
CID 115719853
1-(5-chlorothiophen-3-yl)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]ethanamine
CID 102976400
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 43764830
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pentan-2-amine
CID 60855645
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(2,3-dichlorophenyl)ethanamine
CID 103777374
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-methylhexan-2-amine
CID 54927106
N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 43768380
N-[(1-cyclooctylpyrrolidin-3-yl)methyl]propan-2-amine
CID 55083195
1-(4-chloro-3-fluorophenyl)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]ethanamine
CID 82993503
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(2-methylphenyl)propan-2-amine
CID 71916218

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The IUPAC name of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine (CID 60855473) is N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine is Cc1ncsc1C(C)NCC1CCN(C2CC2)C1.
What is the InChIKey of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The InChIKey is QNCXCSMTMRTWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-10(14-11(2)16-9-18-14)15-7-12-5-6-17(8-12)13-3-4-13/h9-10,12-13,15H,3-8H2,1-2H3.
What are the key properties of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine?
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine has a molecular weight of 265.43 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 60855473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).