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

C14H25N3S — CID 106605468

IUPAC2-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
SMILESCc1ncsc1CN(CC(C)C)CC1CCCN1
InChIInChI=1S/C14H25N3S/c1-11(2)7-17(8-13-5-4-6-15-13)9-14-12(3)16-10-18-14/h10-11,13,15H,4-9H2,1-3H3
InChIKeyCPOAKMVBUISGBF-UHFFFAOYSA-N
MW267.44 g/mol
LogP2.66
Rot. Bonds6

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

2-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine (PubChem CID 106605468) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is 2-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
PubChem CID106605468
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC Name2-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
SMILESCc1ncsc1CN(CC(C)C)CC1CCCN1
InChIInChI=1S/C14H25N3S/c1-11(2)7-17(8-13-5-4-6-15-13)9-14-12(3)16-10-18-14/h10-11,13,15H,4-9H2,1-3H3
InChIKeyCPOAKMVBUISGBF-UHFFFAOYSA-N
XLogP2.66
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603544
2-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605712
4-methyl-5-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 130167048
2-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 61378673
2-methyl-N-[(5-methyl-2-pyridinyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605379
N-ethyl-2-(4-methyl-1,3-thiazol-5-yl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106632450
N-benzyl-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605191
N-[(4-iodophenyl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106617091
N-[(4-chlorophenyl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605569
N-[(5-bromothiophen-2-yl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605584
6-methyl-2-[[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]methyl]pyridin-3-ol
CID 106605471
N-methyl-1-(3-methylpiperidin-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 107069286

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The IUPAC name of 2-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine (CID 106605468) is 2-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine is Cc1ncsc1CN(CC(C)C)CC1CCCN1.
What is the InChIKey of 2-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The InChIKey is CPOAKMVBUISGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-11(2)7-17(8-13-5-4-6-15-13)9-14-12(3)16-10-18-14/h10-11,13,15H,4-9H2,1-3H3.
What are the key properties of 2-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
2-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine has a molecular weight of 267.44 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 106605468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).