N,N-dimethyl-4-[(3S)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]pyridin-2-amine

C16H22N4S — CID 124996283

IUPACN,N-dimethyl-4-[(3S)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]pyridin-2-amine
SMILESCN(C)c1cc([C@@H]2CCCN(Cc3nccs3)C2)ccn1
InChIInChI=1S/C16H22N4S/c1-19(2)15-10-13(5-6-17-15)14-4-3-8-20(11-14)12-16-18-7-9-21-16/h5-7,9-10,14H,3-4,8,11-12H2,1-2H3/t14-/m1/s1
InChIKeyQRWMOUPNLNXQJQ-CQSZACIVSA-N
MW302.45 g/mol
LogP2.98
Rot. Bonds4

About N,N-dimethyl-4-[(3S)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]pyridin-2-amine

N,N-dimethyl-4-[(3S)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]pyridin-2-amine (PubChem CID 124996283) has the molecular formula C16H22N4S and a molecular weight of 302.45 g/mol. Its IUPAC name is N,N-dimethyl-4-[(3S)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]pyridin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-[(3S)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]pyridin-2-amine
PubChem CID124996283
Molecular FormulaC16H22N4S
Molecular Weight302.45 g/mol
Exact Mass302.16
IUPAC NameN,N-dimethyl-4-[(3S)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]pyridin-2-amine
SMILESCN(C)c1cc([C@@H]2CCCN(Cc3nccs3)C2)ccn1
InChIInChI=1S/C16H22N4S/c1-19(2)15-10-13(5-6-17-15)14-4-3-8-20(11-14)12-16-18-7-9-21-16/h5-7,9-10,14H,3-4,8,11-12H2,1-2H3/t14-/m1/s1
InChIKeyQRWMOUPNLNXQJQ-CQSZACIVSA-N
XLogP2.98
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-4-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyridin-2-amine
CID 125008778
3-[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]benzoic acid
CID 72844091
N,N-dimethyl-4-(1-pyridin-4-ylpiperidin-3-yl)pyridin-2-amine
CID 110269030
N,N-dimethyl-4-(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)pyridin-2-amine
CID 110105853
2-cyclopropyl-1-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]ethanone
CID 125005497
N,N-dimethyl-4-[2-[(2R)-4-(1,3-thiazol-2-ylmethyl)morpholin-2-yl]ethyl]pyridin-2-amine
CID 124997675
methyl (3S)-1-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxylate
CID 115384916
N,N-dimethyl-1-(1,3-thiazol-2-ylmethyl)piperidin-4-amine
CID 141061386
4-[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]morpholine
CID 45236744
[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone
CID 124978147
N,N-dimethyl-4-[(3S)-piperidin-3-yl]pyridin-2-amine
CID 95804693
3-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 125023343

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(3S)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]pyridin-2-amine?
The IUPAC name of N,N-dimethyl-4-[(3S)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]pyridin-2-amine (CID 124996283) is N,N-dimethyl-4-[(3S)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]pyridin-2-amine.
What is the SMILES notation for N,N-dimethyl-4-[(3S)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]pyridin-2-amine?
The canonical SMILES for N,N-dimethyl-4-[(3S)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]pyridin-2-amine is CN(C)c1cc([C@@H]2CCCN(Cc3nccs3)C2)ccn1.
What is the InChIKey of N,N-dimethyl-4-[(3S)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]pyridin-2-amine?
The InChIKey is QRWMOUPNLNXQJQ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H22N4S/c1-19(2)15-10-13(5-6-17-15)14-4-3-8-20(11-14)12-16-18-7-9-21-16/h5-7,9-10,14H,3-4,8,11-12H2,1-2H3/t14-/m1/s1.
What are the key properties of N,N-dimethyl-4-[(3S)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]pyridin-2-amine?
N,N-dimethyl-4-[(3S)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]pyridin-2-amine has a molecular weight of 302.45 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(3S)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]pyridin-2-amine is sourced from PubChem (CID 124996283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).