1-methyl-3-(thiadiazol-5-yl)-1-[2-(1,3-thiazol-2-yl)propyl]urea

C10H13N5OS2 — CID 102562764

IUPAC1-methyl-3-(thiadiazol-5-yl)-1-[2-(1,3-thiazol-2-yl)propyl]urea
SMILESCC(CN(C)C(=O)Nc1cnns1)c1nccs1
InChIInChI=1S/C10H13N5OS2/c1-7(9-11-3-4-17-9)6-15(2)10(16)13-8-5-12-14-18-8/h3-5,7H,6H2,1-2H3,(H,13,16)
InChIKeyNIBKHGXWSRDPPJ-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.26
Rot. Bonds4

About 1-methyl-3-(thiadiazol-5-yl)-1-[2-(1,3-thiazol-2-yl)propyl]urea

1-methyl-3-(thiadiazol-5-yl)-1-[2-(1,3-thiazol-2-yl)propyl]urea (PubChem CID 102562764) has the molecular formula C10H13N5OS2 and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-methyl-3-(thiadiazol-5-yl)-1-[2-(1,3-thiazol-2-yl)propyl]urea.

Molecular Properties

Compound Name1-methyl-3-(thiadiazol-5-yl)-1-[2-(1,3-thiazol-2-yl)propyl]urea
PubChem CID102562764
Molecular FormulaC10H13N5OS2
Molecular Weight283.38 g/mol
Exact Mass283.06
IUPAC Name1-methyl-3-(thiadiazol-5-yl)-1-[2-(1,3-thiazol-2-yl)propyl]urea
SMILESCC(CN(C)C(=O)Nc1cnns1)c1nccs1
InChIInChI=1S/C10H13N5OS2/c1-7(9-11-3-4-17-9)6-15(2)10(16)13-8-5-12-14-18-8/h3-5,7H,6H2,1-2H3,(H,13,16)
InChIKeyNIBKHGXWSRDPPJ-UHFFFAOYSA-N
XLogP2.26
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(2R)-but-3-en-2-yl]-1-methyl-1-[(2S)-2-(1,3-thiazol-2-yl)propyl]urea
CID 97351061
1-methyl-1-[(2R)-2-(1,3-thiazol-2-yl)propyl]-3-[(2S)-2-thiophen-2-ylpropyl]urea
CID 97350993
3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-1-methyl-1-[2-(1,3-thiazol-2-yl)propyl]urea
CID 84600514
3-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-1-methyl-1-[(2R)-2-(1,3-thiazol-2-yl)propyl]urea
CID 124615981
1-methyl-3-[(1S)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-[(2R)-2-(1,3-thiazol-2-yl)propyl]urea
CID 97351606
3-[(6-methoxy-2-pyridinyl)methyl]-1-methyl-1-[2-(1,3-thiazol-2-yl)propyl]urea
CID 75477201
3-(3-ethoxyspiro[3.3]heptan-1-yl)-1-methyl-1-[2-(1,3-thiazol-2-yl)propyl]urea
CID 75503919
N-methyl-4-(prop-2-enoylamino)-N-[2-(1,3-thiazol-2-yl)propyl]benzamide
CID 166404717
2-methyl-N-[2-(1,3-thiazol-2-yl)propyl]propanamide
CID 104578837
4-[methyl-[2-(1,3-thiazol-2-yl)propyl]carbamoyl]pyridine-2-carboxylic acid
CID 120550709
3-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-methyl-1-[2-(1,3-thiazol-2-yl)propyl]urea
CID 84600832
3-[(1R,1aR,7bR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-1-methyl-1-[(2R)-2-(1,3-thiazol-2-yl)propyl]urea
CID 99854195

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(thiadiazol-5-yl)-1-[2-(1,3-thiazol-2-yl)propyl]urea?
The IUPAC name of 1-methyl-3-(thiadiazol-5-yl)-1-[2-(1,3-thiazol-2-yl)propyl]urea (CID 102562764) is 1-methyl-3-(thiadiazol-5-yl)-1-[2-(1,3-thiazol-2-yl)propyl]urea.
What is the SMILES notation for 1-methyl-3-(thiadiazol-5-yl)-1-[2-(1,3-thiazol-2-yl)propyl]urea?
The canonical SMILES for 1-methyl-3-(thiadiazol-5-yl)-1-[2-(1,3-thiazol-2-yl)propyl]urea is CC(CN(C)C(=O)Nc1cnns1)c1nccs1.
What is the InChIKey of 1-methyl-3-(thiadiazol-5-yl)-1-[2-(1,3-thiazol-2-yl)propyl]urea?
The InChIKey is NIBKHGXWSRDPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5OS2/c1-7(9-11-3-4-17-9)6-15(2)10(16)13-8-5-12-14-18-8/h3-5,7H,6H2,1-2H3,(H,13,16).
What are the key properties of 1-methyl-3-(thiadiazol-5-yl)-1-[2-(1,3-thiazol-2-yl)propyl]urea?
1-methyl-3-(thiadiazol-5-yl)-1-[2-(1,3-thiazol-2-yl)propyl]urea has a molecular weight of 283.38 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(thiadiazol-5-yl)-1-[2-(1,3-thiazol-2-yl)propyl]urea is sourced from PubChem (CID 102562764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).