(4R)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,7-dioxo-1,3-diazepane-4-carboxamide

C14H20N4O3S — CID 125170845

IUPAC(4R)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,7-dioxo-1,3-diazepane-4-carboxamide
SMILESCC(C)(C)c1csc(CNC(=O)[C@H]2CCC(=O)NC(=O)N2)n1
InChIInChI=1S/C14H20N4O3S/c1-14(2,3)9-7-22-11(17-9)6-15-12(20)8-4-5-10(19)18-13(21)16-8/h7-8H,4-6H2,1-3H3,(H,15,20)(H2,16,18,19,21)/t8-/m1/s1
InChIKeyQPCVQAPGJNKQEF-MRVPVSSYSA-N
MW324.41 g/mol
LogP1.04
Rot. Bonds3

About (4R)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,7-dioxo-1,3-diazepane-4-carboxamide

(4R)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,7-dioxo-1,3-diazepane-4-carboxamide (PubChem CID 125170845) has the molecular formula C14H20N4O3S and a molecular weight of 324.41 g/mol. Its IUPAC name is (4R)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,7-dioxo-1,3-diazepane-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,7-dioxo-1,3-diazepane-4-carboxamide
PubChem CID125170845
Molecular FormulaC14H20N4O3S
Molecular Weight324.41 g/mol
Exact Mass324.13
IUPAC Name(4R)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,7-dioxo-1,3-diazepane-4-carboxamide
SMILESCC(C)(C)c1csc(CNC(=O)[C@H]2CCC(=O)NC(=O)N2)n1
InChIInChI=1S/C14H20N4O3S/c1-14(2,3)9-7-22-11(17-9)6-15-12(20)8-4-5-10(19)18-13(21)16-8/h7-8H,4-6H2,1-3H3,(H,15,20)(H2,16,18,19,21)/t8-/m1/s1
InChIKeyQPCVQAPGJNKQEF-MRVPVSSYSA-N
XLogP1.04
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (4R)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,7-dioxo-1,3-diazepane-4-carboxamide with MolForge

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Related Compounds

N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide
CID 118766364
(2R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 94177447
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4,4-difluorocyclohexane-1-carboxamide
CID 126792438
(2S,4S)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 124681675
(4S)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97115265
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119878911
N-[(5-tert-butyl-1,3-benzoxazol-2-yl)methyl]-2,7-dioxo-1,3-diazepane-4-carboxamide
CID 118776600
(4R)-N-[(5-tert-butyl-1,3-benzoxazol-2-yl)methyl]-2,7-dioxo-1,3-diazepane-4-carboxamide
CID 125168819
(3S)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methyl-5-oxopiperazine-1-carboxamide
CID 164641447
2,7-dioxo-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)-1,3-diazepane-4-carboxamide
CID 74240906
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-6-methyl-4-(5-methyl-1H-imidazol-4-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 56722911
(4S)-N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-2,7-dioxo-1,3-diazepane-4-carboxamide
CID 125176987

Frequently Asked Questions

What is the IUPAC name of (4R)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,7-dioxo-1,3-diazepane-4-carboxamide?
The IUPAC name of (4R)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,7-dioxo-1,3-diazepane-4-carboxamide (CID 125170845) is (4R)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,7-dioxo-1,3-diazepane-4-carboxamide.
What is the SMILES notation for (4R)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,7-dioxo-1,3-diazepane-4-carboxamide?
The canonical SMILES for (4R)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,7-dioxo-1,3-diazepane-4-carboxamide is CC(C)(C)c1csc(CNC(=O)[C@H]2CCC(=O)NC(=O)N2)n1.
What is the InChIKey of (4R)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,7-dioxo-1,3-diazepane-4-carboxamide?
The InChIKey is QPCVQAPGJNKQEF-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H20N4O3S/c1-14(2,3)9-7-22-11(17-9)6-15-12(20)8-4-5-10(19)18-13(21)16-8/h7-8H,4-6H2,1-3H3,(H,15,20)(H2,16,18,19,21)/t8-/m1/s1.
What are the key properties of (4R)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,7-dioxo-1,3-diazepane-4-carboxamide?
(4R)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,7-dioxo-1,3-diazepane-4-carboxamide has a molecular weight of 324.41 g/mol, XLogP of 1.04, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,7-dioxo-1,3-diazepane-4-carboxamide is sourced from PubChem (CID 125170845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).