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

C14H25N3S — CID 79715140

IUPACN-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
SMILESCc1ncsc1CN(CC1CCNCC1)C(C)C
InChIInChI=1S/C14H25N3S/c1-11(2)17(8-13-4-6-15-7-5-13)9-14-12(3)16-10-18-14/h10-11,13,15H,4-9H2,1-3H3
InChIKeyIEIYFHNZBXSRES-UHFFFAOYSA-N
MW267.44 g/mol
LogP2.66
Rot. Bonds5

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

N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine (PubChem CID 79715140) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
PubChem CID79715140
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC NameN-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
SMILESCc1ncsc1CN(CC1CCNCC1)C(C)C
InChIInChI=1S/C14H25N3S/c1-11(2)17(8-13-4-6-15-7-5-13)9-14-12(3)16-10-18-14/h10-11,13,15H,4-9H2,1-3H3
InChIKeyIEIYFHNZBXSRES-UHFFFAOYSA-N
XLogP2.66
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3S)-pyrrolidin-3-yl]methanamine
CID 95364029
N-(piperidin-4-ylmethyl)-N-(pyrimidin-2-ylmethyl)propan-2-amine
CID 79714663
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-piperidin-4-ylpropan-1-amine
CID 55261344
N-methyl-5-[[(4-methyl-1,3-thiazol-5-yl)methyl-(pyrrolidin-3-ylmethyl)amino]methyl]-N-propan-2-ylpyridin-2-amine;hydrochloride
CID 120845025
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3R)-pyrrolidin-3-yl]methanamine
CID 129340135
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3R)-pyrrolidin-3-yl]methanamine
CID 129466373
2-(2,2-difluoroethoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(pyrrolidin-3-ylmethyl)ethanamine
CID 120967037
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3R)-pyrrolidin-3-yl]methanamine
CID 129324317
N-[(3-chlorothiophen-2-yl)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine;hydrochloride
CID 120845031
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(1H-pyrazol-5-ylmethyl)-1-pyrrolidin-3-ylmethanamine
CID 129008081
2-[cyclopropylmethyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethanol
CID 115882343
N-[(3,4-dimethylphenyl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79715630

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine?
The IUPAC name of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine (CID 79715140) is N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine.
What is the SMILES notation for N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine?
The canonical SMILES for N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine is Cc1ncsc1CN(CC1CCNCC1)C(C)C.
What is the InChIKey of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine?
The InChIKey is IEIYFHNZBXSRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-11(2)17(8-13-4-6-15-7-5-13)9-14-12(3)16-10-18-14/h10-11,13,15H,4-9H2,1-3H3.
What are the key properties of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine?
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine has a molecular weight of 267.44 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine is sourced from PubChem (CID 79715140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).