N-methyl-1-pyrimidin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine

C14H19N5S — CID 72874851

IUPACN-methyl-1-pyrimidin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine
SMILESCN(Cc1nccs1)C1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H19N5S/c1-18(11-13-15-7-10-20-13)12-3-8-19(9-4-12)14-16-5-2-6-17-14/h2,5-7,10,12H,3-4,8-9,11H2,1H3
InChIKeyYTGJTXLOYNNQGM-UHFFFAOYSA-N
MW289.41 g/mol
LogP2.03
Rot. Bonds4

About N-methyl-1-pyrimidin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine

N-methyl-1-pyrimidin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine (PubChem CID 72874851) has the molecular formula C14H19N5S and a molecular weight of 289.41 g/mol. Its IUPAC name is N-methyl-1-pyrimidin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-methyl-1-pyrimidin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine
PubChem CID72874851
Molecular FormulaC14H19N5S
Molecular Weight289.41 g/mol
Exact Mass289.14
IUPAC NameN-methyl-1-pyrimidin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine
SMILESCN(Cc1nccs1)C1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H19N5S/c1-18(11-13-15-7-10-20-13)12-3-8-19(9-4-12)14-16-5-2-6-17-14/h2,5-7,10,12H,3-4,8-9,11H2,1H3
InChIKeyYTGJTXLOYNNQGM-UHFFFAOYSA-N
XLogP2.03
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.41
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Pyrimidin-2-yl-{4-[2-(4-thiazol-2-yl-piperazin-1-yl)-ethyl]-cyclohexyl}-amine
CID 10643047
2-Methyl-4-[2-(2-piperidin-1-ylpyrimidin-5-yl)ethynyl]-1,3-thiazole
CID 16662938
Guanidine, N-(1,1-dimethylpropyl)-N'-2-pyrimidinyl-N''-2-thiazolyl-
CID 3055130
4-[[4-(Cyclopropylmethyl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
CID 45833433
4-Methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazole
CID 31981427
1-[(4-Methyl-1,3-thiazol-2-yl)methyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
CID 45827576
2-Pyrimidin-2-yl-4-[(3-pyrrolidin-1-ylpiperidin-1-yl)methyl]-1,3-thiazole
CID 47053717
1-[(2-Methyl-1,3-thiazol-4-yl)methyl]-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea
CID 51084056
N-[2-(pyrimidin-2-ylamino)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 51084882
1-[(2-Methyl-1,3-thiazol-4-yl)methyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
CID 53502407
1-(4-Pyrimidin-2-ylpiperazin-1-yl)-3-(1,3-thiazol-2-yl)propan-1-one
CID 71684310
2-N,4-N,4-N-trimethyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine
CID 71850493

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-pyrimidin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine?
The IUPAC name of N-methyl-1-pyrimidin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine (CID 72874851) is N-methyl-1-pyrimidin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine.
What is the SMILES notation for N-methyl-1-pyrimidin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine?
The canonical SMILES for N-methyl-1-pyrimidin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine is CN(Cc1nccs1)C1CCN(c2ncccn2)CC1.
What is the InChIKey of N-methyl-1-pyrimidin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine?
The InChIKey is YTGJTXLOYNNQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5S/c1-18(11-13-15-7-10-20-13)12-3-8-19(9-4-12)14-16-5-2-6-17-14/h2,5-7,10,12H,3-4,8-9,11H2,1H3.
What are the key properties of N-methyl-1-pyrimidin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine?
N-methyl-1-pyrimidin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine has a molecular weight of 289.41 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-pyrimidin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 72874851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).