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

C20H23ClN6S — CID 175658564

IUPACN-[6-[[1-[(2-chloro-3-pyridinyl)methyl]piperidin-4-yl]methyl]pyrazin-2-yl]-5-methyl-1,3-thiazol-2-amine
SMILESCc1cnc(Nc2cncc(CC3CCN(Cc4cccnc4Cl)CC3)n2)s1
InChIInChI=1S/C20H23ClN6S/c1-14-10-24-20(28-14)26-18-12-22-11-17(25-18)9-15-4-7-27(8-5-15)13-16-3-2-6-23-19(16)21/h2-3,6,10-12,15H,4-5,7-9,13H2,1H3,(H,24,25,26)
InChIKeyWWZGYXSAFBCGQA-UHFFFAOYSA-N
MW414.97 g/mol
LogP4.49
Rot. Bonds6

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

N-[6-[[1-[(2-chloro-3-pyridinyl)methyl]piperidin-4-yl]methyl]pyrazin-2-yl]-5-methyl-1,3-thiazol-2-amine (PubChem CID 175658564) has the molecular formula C20H23ClN6S and a molecular weight of 414.97 g/mol. Its IUPAC name is N-[6-[[1-[(2-chloro-3-pyridinyl)methyl]piperidin-4-yl]methyl]pyrazin-2-yl]-5-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[6-[[1-[(2-chloro-3-pyridinyl)methyl]piperidin-4-yl]methyl]pyrazin-2-yl]-5-methyl-1,3-thiazol-2-amine
PubChem CID175658564
Molecular FormulaC20H23ClN6S
Molecular Weight414.97 g/mol
Exact Mass414.14
IUPAC NameN-[6-[[1-[(2-chloro-3-pyridinyl)methyl]piperidin-4-yl]methyl]pyrazin-2-yl]-5-methyl-1,3-thiazol-2-amine
SMILESCc1cnc(Nc2cncc(CC3CCN(Cc4cccnc4Cl)CC3)n2)s1
InChIInChI=1S/C20H23ClN6S/c1-14-10-24-20(28-14)26-18-12-22-11-17(25-18)9-15-4-7-27(8-5-15)13-16-3-2-6-23-19(16)21/h2-3,6,10-12,15H,4-5,7-9,13H2,1H3,(H,24,25,26)
InChIKeyWWZGYXSAFBCGQA-UHFFFAOYSA-N
XLogP4.49
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.97
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

5-methyl-N-[6-(piperidin-4-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine
CID 155906903
N,N-dimethyl-2-[4-[[6-(pyridin-2-ylamino)pyrazin-2-yl]methyl]piperidin-1-yl]acetamide
CID 95815288
2-chloro-3-[(3-ethylpyrrolidin-1-yl)methyl]pyridine
CID 115688607
N-[6-[[1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]methyl]-2-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine
CID 175659503
N-[6-[(1-benzylpiperidin-3-yl)methyl]-2-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine
CID 175659781
1-[1-[(2-chloro-3-pyridinyl)methyl]piperidin-4-yl]ethanol
CID 111113737
1-[(3S)-3-[[6-[(5-methyl-1,3-thiazol-2-yl)amino]-4-(morpholin-4-ylmethyl)-2-pyridinyl]methyl]pyrrolidin-1-yl]prop-2-en-1-one
CID 163600522
N,2-dimethyl-6-[[1-(quinolin-5-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-amine
CID 110089038
1-[(2-chloro-3-pyridinyl)methyl]pyrrolidin-3-ol
CID 62916132
5-methyl-N-[6-[1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,3-thiazol-2-amine
CID 175659672
5-methyl-N-[2-[(2S)-1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 175658940
2-[(2-chloro-3-pyridinyl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 62470912

Frequently Asked Questions

What is the IUPAC name of N-[6-[[1-[(2-chloro-3-pyridinyl)methyl]piperidin-4-yl]methyl]pyrazin-2-yl]-5-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[6-[[1-[(2-chloro-3-pyridinyl)methyl]piperidin-4-yl]methyl]pyrazin-2-yl]-5-methyl-1,3-thiazol-2-amine (CID 175658564) is N-[6-[[1-[(2-chloro-3-pyridinyl)methyl]piperidin-4-yl]methyl]pyrazin-2-yl]-5-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[6-[[1-[(2-chloro-3-pyridinyl)methyl]piperidin-4-yl]methyl]pyrazin-2-yl]-5-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[6-[[1-[(2-chloro-3-pyridinyl)methyl]piperidin-4-yl]methyl]pyrazin-2-yl]-5-methyl-1,3-thiazol-2-amine is Cc1cnc(Nc2cncc(CC3CCN(Cc4cccnc4Cl)CC3)n2)s1.
What is the InChIKey of N-[6-[[1-[(2-chloro-3-pyridinyl)methyl]piperidin-4-yl]methyl]pyrazin-2-yl]-5-methyl-1,3-thiazol-2-amine?
The InChIKey is WWZGYXSAFBCGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN6S/c1-14-10-24-20(28-14)26-18-12-22-11-17(25-18)9-15-4-7-27(8-5-15)13-16-3-2-6-23-19(16)21/h2-3,6,10-12,15H,4-5,7-9,13H2,1H3,(H,24,25,26).
What are the key properties of N-[6-[[1-[(2-chloro-3-pyridinyl)methyl]piperidin-4-yl]methyl]pyrazin-2-yl]-5-methyl-1,3-thiazol-2-amine?
N-[6-[[1-[(2-chloro-3-pyridinyl)methyl]piperidin-4-yl]methyl]pyrazin-2-yl]-5-methyl-1,3-thiazol-2-amine has a molecular weight of 414.97 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[1-[(2-chloro-3-pyridinyl)methyl]piperidin-4-yl]methyl]pyrazin-2-yl]-5-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 175658564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).