1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-(2-methyl-1,2,4-triazol-3-yl)urea

C11H16N6OS — CID 75505191

IUPAC1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-(2-methyl-1,2,4-triazol-3-yl)urea
SMILESCc1csc(C(C)CNC(=O)Nc2ncnn2C)n1
InChIInChI=1S/C11H16N6OS/c1-7(9-15-8(2)5-19-9)4-12-11(18)16-10-13-6-14-17(10)3/h5-7H,4H2,1-3H3,(H2,12,13,14,16,18)
InChIKeyJZPYADBLBDSIJQ-UHFFFAOYSA-N
MW280.36 g/mol
LogP1.51
Rot. Bonds4

About 1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-(2-methyl-1,2,4-triazol-3-yl)urea

1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-(2-methyl-1,2,4-triazol-3-yl)urea (PubChem CID 75505191) has the molecular formula C11H16N6OS and a molecular weight of 280.36 g/mol. Its IUPAC name is 1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-(2-methyl-1,2,4-triazol-3-yl)urea.

Molecular Properties

Compound Name1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-(2-methyl-1,2,4-triazol-3-yl)urea
PubChem CID75505191
Molecular FormulaC11H16N6OS
Molecular Weight280.36 g/mol
Exact Mass280.11
IUPAC Name1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-(2-methyl-1,2,4-triazol-3-yl)urea
SMILESCc1csc(C(C)CNC(=O)Nc2ncnn2C)n1
InChIInChI=1S/C11H16N6OS/c1-7(9-15-8(2)5-19-9)4-12-11(18)16-10-13-6-14-17(10)3/h5-7H,4H2,1-3H3,(H2,12,13,14,16,18)
InChIKeyJZPYADBLBDSIJQ-UHFFFAOYSA-N
XLogP1.51
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-ethyl-1-methyl-1H-1,2,4-triazol-3-yl)-N'-[2-(1,3-thiazol-4-yl)ethyl]urea
CID 46985118
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 71893474
1-[[2-(Dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea
CID 71981676
N-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-N'-(1-propyl-1H-1,2,4-triazol-3-yl)urea
CID 28077161
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 71856667
1-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(2-methyl-1,2,4-triazol-3-yl)urea
CID 97328688
1-[(2S)-2-(5-methyl-1,3-thiazol-2-yl)propyl]-3-(2-methyl-1,2,4-triazol-3-yl)urea
CID 97826400
1-[[2-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methyl]-1-methyl-3-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 100702932
(2S)-2-methyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 125173086
3-[(2-Tert-butyl-1,2,4-triazol-3-yl)methyl]-1-methyl-1-(1,3-thiazol-4-ylmethyl)urea
CID 136540530
1-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(1-methyl-1,2,4-triazol-3-yl)urea
CID 164638089
1-[[2-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methyl]-1-methyl-3-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 100702944

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-(2-methyl-1,2,4-triazol-3-yl)urea?
The IUPAC name of 1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-(2-methyl-1,2,4-triazol-3-yl)urea (CID 75505191) is 1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-(2-methyl-1,2,4-triazol-3-yl)urea.
What is the SMILES notation for 1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-(2-methyl-1,2,4-triazol-3-yl)urea?
The canonical SMILES for 1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-(2-methyl-1,2,4-triazol-3-yl)urea is Cc1csc(C(C)CNC(=O)Nc2ncnn2C)n1.
What is the InChIKey of 1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-(2-methyl-1,2,4-triazol-3-yl)urea?
The InChIKey is JZPYADBLBDSIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6OS/c1-7(9-15-8(2)5-19-9)4-12-11(18)16-10-13-6-14-17(10)3/h5-7H,4H2,1-3H3,(H2,12,13,14,16,18).
What are the key properties of 1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-(2-methyl-1,2,4-triazol-3-yl)urea?
1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-(2-methyl-1,2,4-triazol-3-yl)urea has a molecular weight of 280.36 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-(2-methyl-1,2,4-triazol-3-yl)urea is sourced from PubChem (CID 75505191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).