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

C12H17N5O2S — CID 138025611

IUPAC1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-(3-methyl-1,2-oxazol-4-yl)urea
SMILESCc1nocc1NC(=O)NCc1nc(CN(C)C)cs1
InChIInChI=1S/C12H17N5O2S/c1-8-10(6-19-16-8)15-12(18)13-4-11-14-9(7-20-11)5-17(2)3/h6-7H,4-5H2,1-3H3,(H2,13,15,18)
InChIKeyDGFMCRLXVLCSNY-UHFFFAOYSA-N
MW295.37 g/mol
LogP1.82
Rot. Bonds5

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

1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-(3-methyl-1,2-oxazol-4-yl)urea (PubChem CID 138025611) has the molecular formula C12H17N5O2S and a molecular weight of 295.37 g/mol. Its IUPAC name is 1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-(3-methyl-1,2-oxazol-4-yl)urea.

Molecular Properties

Compound Name1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-(3-methyl-1,2-oxazol-4-yl)urea
PubChem CID138025611
Molecular FormulaC12H17N5O2S
Molecular Weight295.37 g/mol
Exact Mass295.11
IUPAC Name1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-(3-methyl-1,2-oxazol-4-yl)urea
SMILESCc1nocc1NC(=O)NCc1nc(CN(C)C)cs1
InChIInChI=1S/C12H17N5O2S/c1-8-10(6-19-16-8)15-12(18)13-4-11-14-9(7-20-11)5-17(2)3/h6-7H,4-5H2,1-3H3,(H2,13,15,18)
InChIKeyDGFMCRLXVLCSNY-UHFFFAOYSA-N
XLogP1.82
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-(3-methyl-1,2-oxazol-4-yl)urea?
The IUPAC name of 1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-(3-methyl-1,2-oxazol-4-yl)urea (CID 138025611) is 1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-(3-methyl-1,2-oxazol-4-yl)urea.
What is the SMILES notation for 1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-(3-methyl-1,2-oxazol-4-yl)urea?
The canonical SMILES for 1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-(3-methyl-1,2-oxazol-4-yl)urea is Cc1nocc1NC(=O)NCc1nc(CN(C)C)cs1.
What is the InChIKey of 1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-(3-methyl-1,2-oxazol-4-yl)urea?
The InChIKey is DGFMCRLXVLCSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2S/c1-8-10(6-19-16-8)15-12(18)13-4-11-14-9(7-20-11)5-17(2)3/h6-7H,4-5H2,1-3H3,(H2,13,15,18).
What are the key properties of 1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-(3-methyl-1,2-oxazol-4-yl)urea?
1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-(3-methyl-1,2-oxazol-4-yl)urea has a molecular weight of 295.37 g/mol, XLogP of 1.82, 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-(3-methyl-1,2-oxazol-4-yl)urea is sourced from PubChem (CID 138025611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).