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

C14H19N5O2S — CID 138025460

IUPAC1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-(1-methyl-2-oxo-4-pyridinyl)urea
SMILESCN(C)Cc1csc(CNC(=O)Nc2ccn(C)c(=O)c2)n1
InChIInChI=1S/C14H19N5O2S/c1-18(2)8-11-9-22-12(16-11)7-15-14(21)17-10-4-5-19(3)13(20)6-10/h4-6,9H,7-8H2,1-3H3,(H2,15,17,21)
InChIKeyQRLPYCKOZVRKDM-UHFFFAOYSA-N
MW321.41 g/mol
LogP1.23
Rot. Bonds5

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

1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-(1-methyl-2-oxo-4-pyridinyl)urea (PubChem CID 138025460) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is 1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-(1-methyl-2-oxo-4-pyridinyl)urea.

Molecular Properties

Compound Name1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-(1-methyl-2-oxo-4-pyridinyl)urea
PubChem CID138025460
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC Name1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-(1-methyl-2-oxo-4-pyridinyl)urea
SMILESCN(C)Cc1csc(CNC(=O)Nc2ccn(C)c(=O)c2)n1
InChIInChI=1S/C14H19N5O2S/c1-18(2)8-11-9-22-12(16-11)7-15-14(21)17-10-4-5-19(3)13(20)6-10/h4-6,9H,7-8H2,1-3H3,(H2,15,17,21)
InChIKeyQRLPYCKOZVRKDM-UHFFFAOYSA-N
XLogP1.23
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

N-(1-methyl-6-oxo-3-pyridinyl)-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide
CID 75462304
1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-methyl-6-oxopyridine-3-carboxamide
CID 47073248
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea
CID 47492059
1-[[2-[acetyl(methyl)amino]-1,3-thiazol-4-yl]methyl]-N-methyl-6-oxopyridine-3-carboxamide
CID 47506363
N,6-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 72046894
3-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepane-1-carbonyl]-1H-pyridin-2-one
CID 72144042
6-oxo-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-N-(2-sulfanylethyl)pyridine-3-carboxamide
CID 177679586
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 47076981
3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-methyl-1-(1,3-thiazol-4-ylmethyl)urea
CID 72047439
6-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 72049082
N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-N'-(2-hydroxypyridin-3-yl)urea
CID 72852454
1-(5-methyl-6-oxo-1H-pyridin-3-yl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea
CID 75433405

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-(1-methyl-2-oxo-4-pyridinyl)urea?
The IUPAC name of 1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-(1-methyl-2-oxo-4-pyridinyl)urea (CID 138025460) is 1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-(1-methyl-2-oxo-4-pyridinyl)urea.
What is the SMILES notation for 1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-(1-methyl-2-oxo-4-pyridinyl)urea?
The canonical SMILES for 1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-(1-methyl-2-oxo-4-pyridinyl)urea is CN(C)Cc1csc(CNC(=O)Nc2ccn(C)c(=O)c2)n1.
What is the InChIKey of 1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-(1-methyl-2-oxo-4-pyridinyl)urea?
The InChIKey is QRLPYCKOZVRKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-18(2)8-11-9-22-12(16-11)7-15-14(21)17-10-4-5-19(3)13(20)6-10/h4-6,9H,7-8H2,1-3H3,(H2,15,17,21).
What are the key properties of 1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-(1-methyl-2-oxo-4-pyridinyl)urea?
1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-(1-methyl-2-oxo-4-pyridinyl)urea has a molecular weight of 321.41 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-(1-methyl-2-oxo-4-pyridinyl)urea is sourced from PubChem (CID 138025460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).