(Z)-2-cyano-N-methyl-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-N-(1-methylpiperidin-4-yl)prop-2-enamide

C18H26N6OS — CID 108838608

IUPAC(Z)-2-cyano-N-methyl-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-N-(1-methylpiperidin-4-yl)prop-2-enamide
SMILESCN1CCC(N(C)C(=O)/C(C#N)=C\Nc2nc3c(s2)CN(C)CC3)CC1
InChIInChI=1S/C18H26N6OS/c1-22-7-4-14(5-8-22)24(3)17(25)13(10-19)11-20-18-21-15-6-9-23(2)12-16(15)26-18/h11,14H,4-9,12H2,1-3H3,(H,20,21)/b13-11-
InChIKeyRUFRDWLCVSKFDO-QBFSEMIESA-N
MW374.51 g/mol
LogP1.50
Rot. Bonds4

About (Z)-2-cyano-N-methyl-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-N-(1-methylpiperidin-4-yl)prop-2-enamide

(Z)-2-cyano-N-methyl-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-N-(1-methylpiperidin-4-yl)prop-2-enamide (PubChem CID 108838608) has the molecular formula C18H26N6OS and a molecular weight of 374.51 g/mol. Its IUPAC name is (Z)-2-cyano-N-methyl-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-N-(1-methylpiperidin-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-methyl-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-N-(1-methylpiperidin-4-yl)prop-2-enamide
PubChem CID108838608
Molecular FormulaC18H26N6OS
Molecular Weight374.51 g/mol
Exact Mass374.19
IUPAC Name(Z)-2-cyano-N-methyl-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-N-(1-methylpiperidin-4-yl)prop-2-enamide
SMILESCN1CCC(N(C)C(=O)/C(C#N)=C\Nc2nc3c(s2)CN(C)CC3)CC1
InChIInChI=1S/C18H26N6OS/c1-22-7-4-14(5-8-22)24(3)17(25)13(10-19)11-20-18-21-15-6-9-23(2)12-16(15)26-18/h11,14H,4-9,12H2,1-3H3,(H,20,21)/b13-11-
InChIKeyRUFRDWLCVSKFDO-QBFSEMIESA-N
XLogP1.50
TPSA75.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-methyl-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-N-(1-methylpiperidin-4-yl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-methyl-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-N-(1-methylpiperidin-4-yl)prop-2-enamide (CID 108838608) is (Z)-2-cyano-N-methyl-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-N-(1-methylpiperidin-4-yl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-methyl-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-N-(1-methylpiperidin-4-yl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-methyl-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-N-(1-methylpiperidin-4-yl)prop-2-enamide is CN1CCC(N(C)C(=O)/C(C#N)=C\Nc2nc3c(s2)CN(C)CC3)CC1.
What is the InChIKey of (Z)-2-cyano-N-methyl-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-N-(1-methylpiperidin-4-yl)prop-2-enamide?
The InChIKey is RUFRDWLCVSKFDO-QBFSEMIESA-N. The full InChI is InChI=1S/C18H26N6OS/c1-22-7-4-14(5-8-22)24(3)17(25)13(10-19)11-20-18-21-15-6-9-23(2)12-16(15)26-18/h11,14H,4-9,12H2,1-3H3,(H,20,21)/b13-11-.
What are the key properties of (Z)-2-cyano-N-methyl-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-N-(1-methylpiperidin-4-yl)prop-2-enamide?
(Z)-2-cyano-N-methyl-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-N-(1-methylpiperidin-4-yl)prop-2-enamide has a molecular weight of 374.51 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-methyl-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-N-(1-methylpiperidin-4-yl)prop-2-enamide is sourced from PubChem (CID 108838608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).