N-[3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]pyrazin-2-yl]-4,5-dimethyl-1,3-thiazol-2-amine

C18H23N7S — CID 110111516

IUPACN-[3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]pyrazin-2-yl]-4,5-dimethyl-1,3-thiazol-2-amine
SMILESCc1nc(Nc2nccnc2C2CCN(Cc3ncc[nH]3)CC2)sc1C
InChIInChI=1S/C18H23N7S/c1-12-13(2)26-18(23-12)24-17-16(21-7-8-22-17)14-3-9-25(10-4-14)11-15-19-5-6-20-15/h5-8,14H,3-4,9-11H2,1-2H3,(H,19,20)(H,22,23,24)
InChIKeyNHCASGUXPSDLFX-UHFFFAOYSA-N
MW369.50 g/mol
LogP3.40
Rot. Bonds5

About N-[3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]pyrazin-2-yl]-4,5-dimethyl-1,3-thiazol-2-amine

N-[3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]pyrazin-2-yl]-4,5-dimethyl-1,3-thiazol-2-amine (PubChem CID 110111516) has the molecular formula C18H23N7S and a molecular weight of 369.50 g/mol. Its IUPAC name is N-[3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]pyrazin-2-yl]-4,5-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]pyrazin-2-yl]-4,5-dimethyl-1,3-thiazol-2-amine
PubChem CID110111516
Molecular FormulaC18H23N7S
Molecular Weight369.50 g/mol
Exact Mass369.17
IUPAC NameN-[3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]pyrazin-2-yl]-4,5-dimethyl-1,3-thiazol-2-amine
SMILESCc1nc(Nc2nccnc2C2CCN(Cc3ncc[nH]3)CC2)sc1C
InChIInChI=1S/C18H23N7S/c1-12-13(2)26-18(23-12)24-17-16(21-7-8-22-17)14-3-9-25(10-4-14)11-15-19-5-6-20-15/h5-8,14H,3-4,9-11H2,1-2H3,(H,19,20)(H,22,23,24)
InChIKeyNHCASGUXPSDLFX-UHFFFAOYSA-N
XLogP3.40
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.50
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]pyrazin-2-yl]-4,5-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of N-[3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]pyrazin-2-yl]-4,5-dimethyl-1,3-thiazol-2-amine (CID 110111516) is N-[3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]pyrazin-2-yl]-4,5-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]pyrazin-2-yl]-4,5-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]pyrazin-2-yl]-4,5-dimethyl-1,3-thiazol-2-amine is Cc1nc(Nc2nccnc2C2CCN(Cc3ncc[nH]3)CC2)sc1C.
What is the InChIKey of N-[3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]pyrazin-2-yl]-4,5-dimethyl-1,3-thiazol-2-amine?
The InChIKey is NHCASGUXPSDLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7S/c1-12-13(2)26-18(23-12)24-17-16(21-7-8-22-17)14-3-9-25(10-4-14)11-15-19-5-6-20-15/h5-8,14H,3-4,9-11H2,1-2H3,(H,19,20)(H,22,23,24).
What are the key properties of N-[3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]pyrazin-2-yl]-4,5-dimethyl-1,3-thiazol-2-amine?
N-[3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]pyrazin-2-yl]-4,5-dimethyl-1,3-thiazol-2-amine has a molecular weight of 369.50 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]pyrazin-2-yl]-4,5-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 110111516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).