N-[(1R,2R,4S)-4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-2-hydroxycyclopentyl]-2-methyl-1,3-thiazole-4-carboxamide

C15H21N3O5S2 — CID 155913167

IUPACN-[(1R,2R,4S)-4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-2-hydroxycyclopentyl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)N[C@@H]2C[C@H](C(=O)N3CCS(=O)(=O)CC3)C[C@H]2O)cs1
InChIInChI=1S/C15H21N3O5S2/c1-9-16-12(8-24-9)14(20)17-11-6-10(7-13(11)19)15(21)18-2-4-25(22,23)5-3-18/h8,10-11,13,19H,2-7H2,1H3,(H,17,20)/t10-,11+,13+/m0/s1
InChIKeyBQTACGBUGCTJOL-DMDPSCGWSA-N
MW387.48 g/mol
LogP-0.42
Rot. Bonds3

About N-[(1R,2R,4S)-4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-2-hydroxycyclopentyl]-2-methyl-1,3-thiazole-4-carboxamide

N-[(1R,2R,4S)-4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-2-hydroxycyclopentyl]-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 155913167) has the molecular formula C15H21N3O5S2 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-[(1R,2R,4S)-4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-2-hydroxycyclopentyl]-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R,4S)-4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-2-hydroxycyclopentyl]-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID155913167
Molecular FormulaC15H21N3O5S2
Molecular Weight387.48 g/mol
Exact Mass387.09
IUPAC NameN-[(1R,2R,4S)-4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-2-hydroxycyclopentyl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)N[C@@H]2C[C@H](C(=O)N3CCS(=O)(=O)CC3)C[C@H]2O)cs1
InChIInChI=1S/C15H21N3O5S2/c1-9-16-12(8-24-9)14(20)17-11-6-10(7-13(11)19)15(21)18-2-4-25(22,23)5-3-18/h8,10-11,13,19H,2-7H2,1H3,(H,17,20)/t10-,11+,13+/m0/s1
InChIKeyBQTACGBUGCTJOL-DMDPSCGWSA-N
XLogP-0.42
TPSA116.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,4S)-4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-2-hydroxycyclopentyl]-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(1R,2R,4S)-4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-2-hydroxycyclopentyl]-2-methyl-1,3-thiazole-4-carboxamide (CID 155913167) is N-[(1R,2R,4S)-4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-2-hydroxycyclopentyl]-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(1R,2R,4S)-4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-2-hydroxycyclopentyl]-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(1R,2R,4S)-4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-2-hydroxycyclopentyl]-2-methyl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)N[C@@H]2C[C@H](C(=O)N3CCS(=O)(=O)CC3)C[C@H]2O)cs1.
What is the InChIKey of N-[(1R,2R,4S)-4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-2-hydroxycyclopentyl]-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is BQTACGBUGCTJOL-DMDPSCGWSA-N. The full InChI is InChI=1S/C15H21N3O5S2/c1-9-16-12(8-24-9)14(20)17-11-6-10(7-13(11)19)15(21)18-2-4-25(22,23)5-3-18/h8,10-11,13,19H,2-7H2,1H3,(H,17,20)/t10-,11+,13+/m0/s1.
What are the key properties of N-[(1R,2R,4S)-4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-2-hydroxycyclopentyl]-2-methyl-1,3-thiazole-4-carboxamide?
N-[(1R,2R,4S)-4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-2-hydroxycyclopentyl]-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 387.48 g/mol, XLogP of -0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,4S)-4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-2-hydroxycyclopentyl]-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 155913167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).