2-[[(2S,4R)-2-methyloxane-4-carbonyl]amino]-1,3-thiazole-5-carboxamide

C11H15N3O3S — CID 99781135

IUPAC2-[[(2S,4R)-2-methyloxane-4-carbonyl]amino]-1,3-thiazole-5-carboxamide
SMILESC[C@H]1C[C@H](C(=O)Nc2ncc(C(N)=O)s2)CCO1
InChIInChI=1S/C11H15N3O3S/c1-6-4-7(2-3-17-6)10(16)14-11-13-5-8(18-11)9(12)15/h5-7H,2-4H2,1H3,(H2,12,15)(H,13,14,16)/t6-,7+/m0/s1
InChIKeyDRQBRSFLQIEDCS-NKWVEPMBSA-N
MW269.33 g/mol
LogP1.00
Rot. Bonds3

About 2-[[(2S,4R)-2-methyloxane-4-carbonyl]amino]-1,3-thiazole-5-carboxamide

2-[[(2S,4R)-2-methyloxane-4-carbonyl]amino]-1,3-thiazole-5-carboxamide (PubChem CID 99781135) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is 2-[[(2S,4R)-2-methyloxane-4-carbonyl]amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[[(2S,4R)-2-methyloxane-4-carbonyl]amino]-1,3-thiazole-5-carboxamide
PubChem CID99781135
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name2-[[(2S,4R)-2-methyloxane-4-carbonyl]amino]-1,3-thiazole-5-carboxamide
SMILESC[C@H]1C[C@H](C(=O)Nc2ncc(C(N)=O)s2)CCO1
InChIInChI=1S/C11H15N3O3S/c1-6-4-7(2-3-17-6)10(16)14-11-13-5-8(18-11)9(12)15/h5-7H,2-4H2,1H3,(H2,12,15)(H,13,14,16)/t6-,7+/m0/s1
InChIKeyDRQBRSFLQIEDCS-NKWVEPMBSA-N
XLogP1.00
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2S,4R)-2-methyloxane-4-carbonyl]amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[[(2S,4R)-2-methyloxane-4-carbonyl]amino]-1,3-thiazole-5-carboxamide (CID 99781135) is 2-[[(2S,4R)-2-methyloxane-4-carbonyl]amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[[(2S,4R)-2-methyloxane-4-carbonyl]amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[[(2S,4R)-2-methyloxane-4-carbonyl]amino]-1,3-thiazole-5-carboxamide is C[C@H]1C[C@H](C(=O)Nc2ncc(C(N)=O)s2)CCO1.
What is the InChIKey of 2-[[(2S,4R)-2-methyloxane-4-carbonyl]amino]-1,3-thiazole-5-carboxamide?
The InChIKey is DRQBRSFLQIEDCS-NKWVEPMBSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-6-4-7(2-3-17-6)10(16)14-11-13-5-8(18-11)9(12)15/h5-7H,2-4H2,1H3,(H2,12,15)(H,13,14,16)/t6-,7+/m0/s1.
What are the key properties of 2-[[(2S,4R)-2-methyloxane-4-carbonyl]amino]-1,3-thiazole-5-carboxamide?
2-[[(2S,4R)-2-methyloxane-4-carbonyl]amino]-1,3-thiazole-5-carboxamide has a molecular weight of 269.33 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S,4R)-2-methyloxane-4-carbonyl]amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 99781135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).