1-[2-(1,2-dihydropyridin-4-yl)-1,3-thiazol-4-yl]-3-[6-[(2-methylimidazol-1-yl)methyl]-2-pyridinyl]urea

C19H19N7OS — CID 142276154

IUPAC1-[2-(1,2-dihydropyridin-4-yl)-1,3-thiazol-4-yl]-3-[6-[(2-methylimidazol-1-yl)methyl]-2-pyridinyl]urea
SMILESCc1nccn1Cc1cccc(NC(=O)Nc2csc(C3=CCNC=C3)n2)n1
InChIInChI=1S/C19H19N7OS/c1-13-21-9-10-26(13)11-15-3-2-4-16(22-15)24-19(27)25-17-12-28-18(23-17)14-5-7-20-8-6-14/h2-7,9-10,12,20H,8,11H2,1H3,(H2,22,24,25,27)
InChIKeyKDFKJDVXHFKKKW-UHFFFAOYSA-N
MW393.48 g/mol
LogP3.24
Rot. Bonds5

About 1-[2-(1,2-dihydropyridin-4-yl)-1,3-thiazol-4-yl]-3-[6-[(2-methylimidazol-1-yl)methyl]-2-pyridinyl]urea

1-[2-(1,2-dihydropyridin-4-yl)-1,3-thiazol-4-yl]-3-[6-[(2-methylimidazol-1-yl)methyl]-2-pyridinyl]urea (PubChem CID 142276154) has the molecular formula C19H19N7OS and a molecular weight of 393.48 g/mol. Its IUPAC name is 1-[2-(1,2-dihydropyridin-4-yl)-1,3-thiazol-4-yl]-3-[6-[(2-methylimidazol-1-yl)methyl]-2-pyridinyl]urea.

Molecular Properties

Compound Name1-[2-(1,2-dihydropyridin-4-yl)-1,3-thiazol-4-yl]-3-[6-[(2-methylimidazol-1-yl)methyl]-2-pyridinyl]urea
PubChem CID142276154
Molecular FormulaC19H19N7OS
Molecular Weight393.48 g/mol
Exact Mass393.14
IUPAC Name1-[2-(1,2-dihydropyridin-4-yl)-1,3-thiazol-4-yl]-3-[6-[(2-methylimidazol-1-yl)methyl]-2-pyridinyl]urea
SMILESCc1nccn1Cc1cccc(NC(=O)Nc2csc(C3=CCNC=C3)n2)n1
InChIInChI=1S/C19H19N7OS/c1-13-21-9-10-26(13)11-15-3-2-4-16(22-15)24-19(27)25-17-12-28-18(23-17)14-5-7-20-8-6-14/h2-7,9-10,12,20H,8,11H2,1H3,(H2,22,24,25,27)
InChIKeyKDFKJDVXHFKKKW-UHFFFAOYSA-N
XLogP3.24
TPSA96.76 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,2-dihydropyridin-4-yl)-1,3-thiazol-4-yl]-3-[6-[(2-methylimidazol-1-yl)methyl]-2-pyridinyl]urea?
The IUPAC name of 1-[2-(1,2-dihydropyridin-4-yl)-1,3-thiazol-4-yl]-3-[6-[(2-methylimidazol-1-yl)methyl]-2-pyridinyl]urea (CID 142276154) is 1-[2-(1,2-dihydropyridin-4-yl)-1,3-thiazol-4-yl]-3-[6-[(2-methylimidazol-1-yl)methyl]-2-pyridinyl]urea.
What is the SMILES notation for 1-[2-(1,2-dihydropyridin-4-yl)-1,3-thiazol-4-yl]-3-[6-[(2-methylimidazol-1-yl)methyl]-2-pyridinyl]urea?
The canonical SMILES for 1-[2-(1,2-dihydropyridin-4-yl)-1,3-thiazol-4-yl]-3-[6-[(2-methylimidazol-1-yl)methyl]-2-pyridinyl]urea is Cc1nccn1Cc1cccc(NC(=O)Nc2csc(C3=CCNC=C3)n2)n1.
What is the InChIKey of 1-[2-(1,2-dihydropyridin-4-yl)-1,3-thiazol-4-yl]-3-[6-[(2-methylimidazol-1-yl)methyl]-2-pyridinyl]urea?
The InChIKey is KDFKJDVXHFKKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7OS/c1-13-21-9-10-26(13)11-15-3-2-4-16(22-15)24-19(27)25-17-12-28-18(23-17)14-5-7-20-8-6-14/h2-7,9-10,12,20H,8,11H2,1H3,(H2,22,24,25,27).
What are the key properties of 1-[2-(1,2-dihydropyridin-4-yl)-1,3-thiazol-4-yl]-3-[6-[(2-methylimidazol-1-yl)methyl]-2-pyridinyl]urea?
1-[2-(1,2-dihydropyridin-4-yl)-1,3-thiazol-4-yl]-3-[6-[(2-methylimidazol-1-yl)methyl]-2-pyridinyl]urea has a molecular weight of 393.48 g/mol, XLogP of 3.24, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,2-dihydropyridin-4-yl)-1,3-thiazol-4-yl]-3-[6-[(2-methylimidazol-1-yl)methyl]-2-pyridinyl]urea is sourced from PubChem (CID 142276154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).