6-chloro-N-[(3R,4R)-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]pyrazin-2-amine

C15H20ClN5S — CID 97215807

IUPAC6-chloro-N-[(3R,4R)-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]pyrazin-2-amine
SMILESCc1ncc(CN2CC[C@@H](Nc3cncc(Cl)n3)[C@H](C)C2)s1
InChIInChI=1S/C15H20ClN5S/c1-10-8-21(9-12-5-18-11(2)22-12)4-3-13(10)19-15-7-17-6-14(16)20-15/h5-7,10,13H,3-4,8-9H2,1-2H3,(H,19,20)/t10-,13-/m1/s1
InChIKeyRLZPMZJNCREYMM-ZWNOBZJWSA-N
MW337.88 g/mol
LogP3.22
Rot. Bonds4

About 6-chloro-N-[(3R,4R)-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]pyrazin-2-amine

6-chloro-N-[(3R,4R)-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]pyrazin-2-amine (PubChem CID 97215807) has the molecular formula C15H20ClN5S and a molecular weight of 337.88 g/mol. Its IUPAC name is 6-chloro-N-[(3R,4R)-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]pyrazin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[(3R,4R)-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]pyrazin-2-amine
PubChem CID97215807
Molecular FormulaC15H20ClN5S
Molecular Weight337.88 g/mol
Exact Mass337.11
IUPAC Name6-chloro-N-[(3R,4R)-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]pyrazin-2-amine
SMILESCc1ncc(CN2CC[C@@H](Nc3cncc(Cl)n3)[C@H](C)C2)s1
InChIInChI=1S/C15H20ClN5S/c1-10-8-21(9-12-5-18-11(2)22-12)4-3-13(10)19-15-7-17-6-14(16)20-15/h5-7,10,13H,3-4,8-9H2,1-2H3,(H,19,20)/t10-,13-/m1/s1
InChIKeyRLZPMZJNCREYMM-ZWNOBZJWSA-N
XLogP3.22
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.88
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R,4S)-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine
CID 94247072
2-fluoro-N-[(3R,4S)-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]benzamide
CID 124721826
N-(1-benzyl-3-methylpiperidin-4-yl)pyridin-2-amine
CID 130893109
6-chloro-N-(2-methyloxolan-3-yl)pyrazin-2-amine
CID 82729405
2-methyl-5-[[(3R)-3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole
CID 124801255
N-(1-benzyl-3-methylpiperidin-4-yl)-2-chloropyrimidin-4-amine
CID 130891534
2-methyl-5-[(4-propan-2-yloxypiperidin-1-yl)methyl]-1,3-thiazole
CID 58293913
5-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine
CID 86773888
5-[[3,5-bis[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazinan-1-yl]methyl]-2-methyl-1,3-thiazole
CID 59815005
N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]-3-methylpiperidin-4-yl]-3-methylbutanamide
CID 165475819
6-chloro-N-[(1R,2S)-2-pyrazol-1-ylcyclohexyl]pyrazin-2-amine
CID 95968560
2-methyl-5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole;hydrochloride
CID 120967694

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(3R,4R)-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]pyrazin-2-amine?
The IUPAC name of 6-chloro-N-[(3R,4R)-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]pyrazin-2-amine (CID 97215807) is 6-chloro-N-[(3R,4R)-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]pyrazin-2-amine.
What is the SMILES notation for 6-chloro-N-[(3R,4R)-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]pyrazin-2-amine?
The canonical SMILES for 6-chloro-N-[(3R,4R)-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]pyrazin-2-amine is Cc1ncc(CN2CC[C@@H](Nc3cncc(Cl)n3)[C@H](C)C2)s1.
What is the InChIKey of 6-chloro-N-[(3R,4R)-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]pyrazin-2-amine?
The InChIKey is RLZPMZJNCREYMM-ZWNOBZJWSA-N. The full InChI is InChI=1S/C15H20ClN5S/c1-10-8-21(9-12-5-18-11(2)22-12)4-3-13(10)19-15-7-17-6-14(16)20-15/h5-7,10,13H,3-4,8-9H2,1-2H3,(H,19,20)/t10-,13-/m1/s1.
What are the key properties of 6-chloro-N-[(3R,4R)-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]pyrazin-2-amine?
6-chloro-N-[(3R,4R)-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]pyrazin-2-amine has a molecular weight of 337.88 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(3R,4R)-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]pyrazin-2-amine is sourced from PubChem (CID 97215807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).