ethyl N-[2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]acetyl]carbamate

C9H13N3O3S2 — CID 43250606

IUPACethyl N-[2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]acetyl]carbamate
SMILESCCOC(=O)NC(=O)CSc1sc(N)nc1C
InChIInChI=1S/C9H13N3O3S2/c1-3-15-9(14)12-6(13)4-16-7-5(2)11-8(10)17-7/h3-4H2,1-2H3,(H2,10,11)(H,12,13,14)
InChIKeyCPIADGFKUUUIQB-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.40
Rot. Bonds4

About ethyl N-[2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]acetyl]carbamate

ethyl N-[2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]acetyl]carbamate (PubChem CID 43250606) has the molecular formula C9H13N3O3S2 and a molecular weight of 275.35 g/mol. Its IUPAC name is ethyl N-[2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]acetyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]acetyl]carbamate
PubChem CID43250606
Molecular FormulaC9H13N3O3S2
Molecular Weight275.35 g/mol
Exact Mass275.04
IUPAC Nameethyl N-[2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]acetyl]carbamate
SMILESCCOC(=O)NC(=O)CSc1sc(N)nc1C
InChIInChI=1S/C9H13N3O3S2/c1-3-15-9(14)12-6(13)4-16-7-5(2)11-8(10)17-7/h3-4H2,1-2H3,(H2,10,11)(H,12,13,14)
InChIKeyCPIADGFKUUUIQB-UHFFFAOYSA-N
XLogP1.40
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]acetate
CID 24705602
2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(tert-butylcarbamoyl)acetamide
CID 43250708
2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(cyanomethyl)acetamide
CID 24707081
methyl 4-[[2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]acetyl]amino]butanoate
CID 43250665
4-[[2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]acetyl]amino]butanoic acid
CID 43250453
2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide
CID 43250576
2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 43250244
2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(2-methylcyclohexyl)acetamide
CID 43250724
2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-1-pyrrolidin-1-ylethanone
CID 24703937
2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 43250430
3-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-propan-2-ylpropanamide
CID 62625727
3-[[5-[2-(ethoxycarbonylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate
CID 2440788

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]acetyl]carbamate?
The IUPAC name of ethyl N-[2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]acetyl]carbamate (CID 43250606) is ethyl N-[2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]acetyl]carbamate.
What is the SMILES notation for ethyl N-[2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]acetyl]carbamate?
The canonical SMILES for ethyl N-[2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]acetyl]carbamate is CCOC(=O)NC(=O)CSc1sc(N)nc1C.
What is the InChIKey of ethyl N-[2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]acetyl]carbamate?
The InChIKey is CPIADGFKUUUIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S2/c1-3-15-9(14)12-6(13)4-16-7-5(2)11-8(10)17-7/h3-4H2,1-2H3,(H2,10,11)(H,12,13,14).
What are the key properties of ethyl N-[2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]acetyl]carbamate?
ethyl N-[2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]acetyl]carbamate has a molecular weight of 275.35 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]acetyl]carbamate is sourced from PubChem (CID 43250606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).