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

C11H16N6OS — CID 97328688

IUPAC1-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(2-methyl-1,2,4-triazol-3-yl)urea
SMILESCCc1nc([C@H](C)NC(=O)Nc2ncnn2C)cs1
InChIInChI=1S/C11H16N6OS/c1-4-9-15-8(5-19-9)7(2)14-11(18)16-10-12-6-13-17(10)3/h5-7H,4H2,1-3H3,(H2,12,13,14,16,18)/t7-/m0/s1
InChIKeyNHJFZPYNDQQQJA-ZETCQYMHSA-N
MW280.36 g/mol
LogP1.72
Rot. Bonds4

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

1-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(2-methyl-1,2,4-triazol-3-yl)urea (PubChem CID 97328688) has the molecular formula C11H16N6OS and a molecular weight of 280.36 g/mol. Its IUPAC name is 1-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(2-methyl-1,2,4-triazol-3-yl)urea.

Molecular Properties

Compound Name1-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(2-methyl-1,2,4-triazol-3-yl)urea
PubChem CID97328688
Molecular FormulaC11H16N6OS
Molecular Weight280.36 g/mol
Exact Mass280.11
IUPAC Name1-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(2-methyl-1,2,4-triazol-3-yl)urea
SMILESCCc1nc([C@H](C)NC(=O)Nc2ncnn2C)cs1
InChIInChI=1S/C11H16N6OS/c1-4-9-15-8(5-19-9)7(2)14-11(18)16-10-12-6-13-17(10)3/h5-7H,4H2,1-3H3,(H2,12,13,14,16,18)/t7-/m0/s1
InChIKeyNHJFZPYNDQQQJA-ZETCQYMHSA-N
XLogP1.72
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 ≤ 51.72
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
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-methyl-1,3-thiazol-4-yl)methyl]-1-(1H-1,2,4-triazol-1-yl)propan-2-amine
CID 50954365
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-(1H-1,2,4-triazol-1-yl)propan-2-amine
CID 56706870
1-[2-(4-Methyl-1,3-thiazol-2-yl)propyl]-3-(2-methyl-1,2,4-triazol-3-yl)urea
CID 75505191
N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide
CID 95214612
(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
N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-(tetrazol-1-yl)butanamide
CID 125518116
4-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-triazol-3-amine
CID 126842212
3-[(2-Tert-butyl-1,2,4-triazol-3-yl)methyl]-1-methyl-1-(1,3-thiazol-4-ylmethyl)urea
CID 136540530
2-methyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 164629416
1-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(1-methyl-1,2,4-triazol-3-yl)urea
CID 164638089

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(2-methyl-1,2,4-triazol-3-yl)urea?
The IUPAC name of 1-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(2-methyl-1,2,4-triazol-3-yl)urea (CID 97328688) is 1-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(2-methyl-1,2,4-triazol-3-yl)urea.
What is the SMILES notation for 1-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(2-methyl-1,2,4-triazol-3-yl)urea?
The canonical SMILES for 1-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(2-methyl-1,2,4-triazol-3-yl)urea is CCc1nc([C@H](C)NC(=O)Nc2ncnn2C)cs1.
What is the InChIKey of 1-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(2-methyl-1,2,4-triazol-3-yl)urea?
The InChIKey is NHJFZPYNDQQQJA-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H16N6OS/c1-4-9-15-8(5-19-9)7(2)14-11(18)16-10-12-6-13-17(10)3/h5-7H,4H2,1-3H3,(H2,12,13,14,16,18)/t7-/m0/s1.
What are the key properties of 1-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(2-methyl-1,2,4-triazol-3-yl)urea?
1-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(2-methyl-1,2,4-triazol-3-yl)urea has a molecular weight of 280.36 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(2-methyl-1,2,4-triazol-3-yl)urea is sourced from PubChem (CID 97328688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).