2-[(2-cyclobutylacetyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride

C10H13ClN2O3S2 — CID 103162313

IUPAC2-[(2-cyclobutylacetyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride
SMILESCc1nc(NC(=O)CC2CCC2)sc1S(=O)(=O)Cl
InChIInChI=1S/C10H13ClN2O3S2/c1-6-9(18(11,15)16)17-10(12-6)13-8(14)5-7-3-2-4-7/h7H,2-5H2,1H3,(H,12,13,14)
InChIKeyRFHLGZSRXFPMPQ-UHFFFAOYSA-N
MW308.81 g/mol
LogP2.51
Rot. Bonds4

About 2-[(2-cyclobutylacetyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride

2-[(2-cyclobutylacetyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride (PubChem CID 103162313) has the molecular formula C10H13ClN2O3S2 and a molecular weight of 308.81 g/mol. Its IUPAC name is 2-[(2-cyclobutylacetyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride.

Molecular Properties

Compound Name2-[(2-cyclobutylacetyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride
PubChem CID103162313
Molecular FormulaC10H13ClN2O3S2
Molecular Weight308.81 g/mol
Exact Mass308.01
IUPAC Name2-[(2-cyclobutylacetyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride
SMILESCc1nc(NC(=O)CC2CCC2)sc1S(=O)(=O)Cl
InChIInChI=1S/C10H13ClN2O3S2/c1-6-9(18(11,15)16)17-10(12-6)13-8(14)5-7-3-2-4-7/h7H,2-5H2,1H3,(H,12,13,14)
InChIKeyRFHLGZSRXFPMPQ-UHFFFAOYSA-N
XLogP2.51
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cycloheptyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)acetamide
CID 114458264
4-methyl-2-(3-methylbutanoylamino)-1,3-thiazole-5-sulfonyl chloride
CID 63947443
4-methyl-2-(2-methylpentanoylamino)-1,3-thiazole-5-sulfonyl chloride
CID 63944455
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 7222640
2-[(4-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride
CID 63946838
2-cyclohexyl-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 43952212
4-[(2-cyclobutylacetyl)amino]-3-methylbenzenesulfonyl chloride
CID 103162291
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-cyclobutylacetamide
CID 103164434
2-cyclopentyl-N-[5-[3-[[(1S,3R)-3-hydroxycyclohexyl]sulfamoyl]-4-methylphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 121465490
3-chloro-4-[(2-cyclobutylacetyl)amino]-5-methylbenzenesulfonyl chloride
CID 103164416
2-cyclopentyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 47120464
N-(1,3-benzothiazol-2-yl)-2-cyclohexylacetamide
CID 806702

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclobutylacetyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride?
The IUPAC name of 2-[(2-cyclobutylacetyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride (CID 103162313) is 2-[(2-cyclobutylacetyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride.
What is the SMILES notation for 2-[(2-cyclobutylacetyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride?
The canonical SMILES for 2-[(2-cyclobutylacetyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride is Cc1nc(NC(=O)CC2CCC2)sc1S(=O)(=O)Cl.
What is the InChIKey of 2-[(2-cyclobutylacetyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride?
The InChIKey is RFHLGZSRXFPMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O3S2/c1-6-9(18(11,15)16)17-10(12-6)13-8(14)5-7-3-2-4-7/h7H,2-5H2,1H3,(H,12,13,14).
What are the key properties of 2-[(2-cyclobutylacetyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride?
2-[(2-cyclobutylacetyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride has a molecular weight of 308.81 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclobutylacetyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride is sourced from PubChem (CID 103162313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).