1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea

C15H21N5OS — CID 47043891

IUPAC1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
SMILESCc1csc(CCNC(=O)NCc2ccnc(N(C)C)c2)n1
InChIInChI=1S/C15H21N5OS/c1-11-10-22-14(19-11)5-7-17-15(21)18-9-12-4-6-16-13(8-12)20(2)3/h4,6,8,10H,5,7,9H2,1-3H3,(H2,17,18,21)
InChIKeyKJQYBCWKOJJCLU-UHFFFAOYSA-N
MW319.43 g/mol
LogP1.95
Rot. Bonds6

About 1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea

1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea (PubChem CID 47043891) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is 1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
PubChem CID47043891
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC Name1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
SMILESCc1csc(CCNC(=O)NCc2ccnc(N(C)C)c2)n1
InChIInChI=1S/C15H21N5OS/c1-11-10-22-14(19-11)5-7-17-15(21)18-9-12-4-6-16-13(8-12)20(2)3/h4,6,8,10H,5,7,9H2,1-3H3,(H2,17,18,21)
InChIKeyKJQYBCWKOJJCLU-UHFFFAOYSA-N
XLogP1.95
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea with MolForge

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Related Compounds

1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[(3-methylthiophen-2-yl)methyl]urea
CID 51082981
1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(6-methyl-2-pyridinyl)urea
CID 75456076
1-ethyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 47228479
1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[[2-(dimethylamino)-4-pyridinyl]methyl]urea
CID 86994177
1-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 115579398
N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3,4-dimethylbenzamide
CID 47028147
1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[(1-hydroxycycloheptyl)methyl]urea
CID 111426710
1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-(2-quinolin-8-ylethyl)urea
CID 47042479
1-[[2-(dimethylamino)-4-pyridinyl]methyl]-2-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
CID 111932969
1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[[(2R)-2-methylthiolan-2-yl]methyl]urea
CID 97022306
1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[[(2S)-2-methylthiolan-2-yl]methyl]urea
CID 97022307
1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]urea
CID 95132243

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea?
The IUPAC name of 1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea (CID 47043891) is 1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea.
What is the SMILES notation for 1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea?
The canonical SMILES for 1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea is Cc1csc(CCNC(=O)NCc2ccnc(N(C)C)c2)n1.
What is the InChIKey of 1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea?
The InChIKey is KJQYBCWKOJJCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-11-10-22-14(19-11)5-7-17-15(21)18-9-12-4-6-16-13(8-12)20(2)3/h4,6,8,10H,5,7,9H2,1-3H3,(H2,17,18,21).
What are the key properties of 1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea?
1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea has a molecular weight of 319.43 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea is sourced from PubChem (CID 47043891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).