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

C15H21N5OS — CID 71909940

IUPAC1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
SMILESCc1nc(CCNC(=O)NCc2cccc(N(C)C)n2)cs1
InChIInChI=1S/C15H21N5OS/c1-11-18-13(10-22-11)7-8-16-15(21)17-9-12-5-4-6-14(19-12)20(2)3/h4-6,10H,7-9H2,1-3H3,(H2,16,17,21)
InChIKeyZZKDNNVNNDNPLN-UHFFFAOYSA-N
MW319.43 g/mol
LogP1.95
Rot. Bonds6

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

1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea (PubChem CID 71909940) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
PubChem CID71909940
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC Name1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
SMILESCc1nc(CCNC(=O)NCc2cccc(N(C)C)n2)cs1
InChIInChI=1S/C15H21N5OS/c1-11-18-13(10-22-11)7-8-16-15(21)17-9-12-5-4-6-14(19-12)20(2)3/h4-6,10H,7-9H2,1-3H3,(H2,16,17,21)
InChIKeyZZKDNNVNNDNPLN-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-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea with MolForge

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Related Compounds

1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[3-(4-hydroxyphenyl)propyl]urea
CID 75389178
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[(5-methylthiophen-2-yl)methyl]urea
CID 75388984
methyl 6-[[6-(dimethylamino)-2-pyridinyl]methylcarbamoylamino]hexanoate
CID 75514046
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 109398549
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 77059141
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-thiophen-3-ylurea
CID 84593325
1-[[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 106038526
1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 111450510
2-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]acetamide
CID 106041035
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-(1-hydroxypropan-2-yl)urea
CID 109399230
1-butyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 47237480
6-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 103790264

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea?
The IUPAC name of 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea (CID 71909940) is 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea?
The canonical SMILES for 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea is Cc1nc(CCNC(=O)NCc2cccc(N(C)C)n2)cs1.
What is the InChIKey of 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea?
The InChIKey is ZZKDNNVNNDNPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-11-18-13(10-22-11)7-8-16-15(21)17-9-12-5-4-6-14(19-12)20(2)3/h4-6,10H,7-9H2,1-3H3,(H2,16,17,21).
What are the key properties of 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea?
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[2-(2-methyl-1,3-thiazol-4-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-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea is sourced from PubChem (CID 71909940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).