2-chloro-1-[3-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone

C16H20ClN5OS — CID 175656298

IUPAC2-chloro-1-[3-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone
SMILESCc1nc(Nc2nccnc2C2CCCN(C(=O)CCl)C2)sc1C
InChIInChI=1S/C16H20ClN5OS/c1-10-11(2)24-16(20-10)21-15-14(18-5-6-19-15)12-4-3-7-22(9-12)13(23)8-17/h5-6,12H,3-4,7-9H2,1-2H3,(H,19,20,21)
InChIKeyKEYKAVBQWNNZSU-UHFFFAOYSA-N
MW365.89 g/mol
LogP3.24
Rot. Bonds4

About 2-chloro-1-[3-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone

2-chloro-1-[3-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone (PubChem CID 175656298) has the molecular formula C16H20ClN5OS and a molecular weight of 365.89 g/mol. Its IUPAC name is 2-chloro-1-[3-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-chloro-1-[3-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone
PubChem CID175656298
Molecular FormulaC16H20ClN5OS
Molecular Weight365.89 g/mol
Exact Mass365.11
IUPAC Name2-chloro-1-[3-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone
SMILESCc1nc(Nc2nccnc2C2CCCN(C(=O)CCl)C2)sc1C
InChIInChI=1S/C16H20ClN5OS/c1-10-11(2)24-16(20-10)21-15-14(18-5-6-19-15)12-4-3-7-22(9-12)13(23)8-17/h5-6,12H,3-4,7-9H2,1-2H3,(H,19,20,21)
InChIKeyKEYKAVBQWNNZSU-UHFFFAOYSA-N
XLogP3.24
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.89
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4,5-dimethyl-N-[3-[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-amine
CID 124969653
3-methyl-1-[3-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]butan-1-one
CID 110256842
3-methoxy-1-[3-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 110256857
1-[(3S)-3-[3-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 124959791
3-chloro-1-[4-[3-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 175657223
N-[3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]pyrazin-2-yl]-4,5-dimethyl-1,3-thiazol-2-amine
CID 110111516
2-chloro-1-[3-[3-(2-chlorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 175658243
2-[(3S)-3-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanol
CID 95823667
1-[(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-4-pyridin-2-ylbutan-1-one
CID 95777800
1-[4-[3-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95825744
(E)-1-[3-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-methylpyrimidin-4-yl]piperidin-1-yl]-3-phenylprop-2-en-1-one
CID 132766865
[(3R)-3-[3-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 124998772

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[3-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-chloro-1-[3-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone (CID 175656298) is 2-chloro-1-[3-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-chloro-1-[3-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-chloro-1-[3-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone is Cc1nc(Nc2nccnc2C2CCCN(C(=O)CCl)C2)sc1C.
What is the InChIKey of 2-chloro-1-[3-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone?
The InChIKey is KEYKAVBQWNNZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5OS/c1-10-11(2)24-16(20-10)21-15-14(18-5-6-19-15)12-4-3-7-22(9-12)13(23)8-17/h5-6,12H,3-4,7-9H2,1-2H3,(H,19,20,21).
What are the key properties of 2-chloro-1-[3-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone?
2-chloro-1-[3-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone has a molecular weight of 365.89 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[3-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 175656298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).