N-[3-methylidene-4-[(Z)-1-(1-methylpyrazol-4-yl)prop-1-enyl]pyrazin-2-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine

C20H25N7S — CID 143460518

IUPACN-[3-methylidene-4-[(Z)-1-(1-methylpyrazol-4-yl)prop-1-enyl]pyrazin-2-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine
SMILESC=C1C(Nc2cc(C3CCNCC3)ns2)=NC=CN1/C(=C\C)c1cnn(C)c1
InChIInChI=1S/C20H25N7S/c1-4-18(16-12-23-26(3)13-16)27-10-9-22-20(14(27)2)24-19-11-17(25-28-19)15-5-7-21-8-6-15/h4,9-13,15,21H,2,5-8H2,1,3H3,(H,22,24)/b18-4-
InChIKeyINRZMKBXIQZIAP-LMXLVEHLSA-N
MW395.54 g/mol
LogP3.52
Rot. Bonds4

About N-[3-methylidene-4-[(Z)-1-(1-methylpyrazol-4-yl)prop-1-enyl]pyrazin-2-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine

N-[3-methylidene-4-[(Z)-1-(1-methylpyrazol-4-yl)prop-1-enyl]pyrazin-2-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine (PubChem CID 143460518) has the molecular formula C20H25N7S and a molecular weight of 395.54 g/mol. Its IUPAC name is N-[3-methylidene-4-[(Z)-1-(1-methylpyrazol-4-yl)prop-1-enyl]pyrazin-2-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine.

Molecular Properties

Compound NameN-[3-methylidene-4-[(Z)-1-(1-methylpyrazol-4-yl)prop-1-enyl]pyrazin-2-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine
PubChem CID143460518
Molecular FormulaC20H25N7S
Molecular Weight395.54 g/mol
Exact Mass395.19
IUPAC NameN-[3-methylidene-4-[(Z)-1-(1-methylpyrazol-4-yl)prop-1-enyl]pyrazin-2-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine
SMILESC=C1C(Nc2cc(C3CCNCC3)ns2)=NC=CN1/C(=C\C)c1cnn(C)c1
InChIInChI=1S/C20H25N7S/c1-4-18(16-12-23-26(3)13-16)27-10-9-22-20(14(27)2)24-19-11-17(25-28-19)15-5-7-21-8-6-15/h4,9-13,15,21H,2,5-8H2,1,3H3,(H,22,24)/b18-4-
InChIKeyINRZMKBXIQZIAP-LMXLVEHLSA-N
XLogP3.52
TPSA70.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.54
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-methylidene-4-[(Z)-1-(1-methylpyrazol-4-yl)prop-1-enyl]pyrazin-2-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine?
The IUPAC name of N-[3-methylidene-4-[(Z)-1-(1-methylpyrazol-4-yl)prop-1-enyl]pyrazin-2-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine (CID 143460518) is N-[3-methylidene-4-[(Z)-1-(1-methylpyrazol-4-yl)prop-1-enyl]pyrazin-2-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine.
What is the SMILES notation for N-[3-methylidene-4-[(Z)-1-(1-methylpyrazol-4-yl)prop-1-enyl]pyrazin-2-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine?
The canonical SMILES for N-[3-methylidene-4-[(Z)-1-(1-methylpyrazol-4-yl)prop-1-enyl]pyrazin-2-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine is C=C1C(Nc2cc(C3CCNCC3)ns2)=NC=CN1/C(=C\C)c1cnn(C)c1.
What is the InChIKey of N-[3-methylidene-4-[(Z)-1-(1-methylpyrazol-4-yl)prop-1-enyl]pyrazin-2-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine?
The InChIKey is INRZMKBXIQZIAP-LMXLVEHLSA-N. The full InChI is InChI=1S/C20H25N7S/c1-4-18(16-12-23-26(3)13-16)27-10-9-22-20(14(27)2)24-19-11-17(25-28-19)15-5-7-21-8-6-15/h4,9-13,15,21H,2,5-8H2,1,3H3,(H,22,24)/b18-4-.
What are the key properties of N-[3-methylidene-4-[(Z)-1-(1-methylpyrazol-4-yl)prop-1-enyl]pyrazin-2-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine?
N-[3-methylidene-4-[(Z)-1-(1-methylpyrazol-4-yl)prop-1-enyl]pyrazin-2-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine has a molecular weight of 395.54 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methylidene-4-[(Z)-1-(1-methylpyrazol-4-yl)prop-1-enyl]pyrazin-2-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine is sourced from PubChem (CID 143460518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).