N,N-dimethyl-6-(5-methyl-1,2-oxazole-3-carbonyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide

C15H18N4O3S — CID 97410610

IUPACN,N-dimethyl-6-(5-methyl-1,2-oxazole-3-carbonyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide
SMILESCc1cc(C(=O)N2CCc3nc(C(=O)N(C)C)sc3CC2)no1
InChIInChI=1S/C15H18N4O3S/c1-9-8-11(17-22-9)14(20)19-6-4-10-12(5-7-19)23-13(16-10)15(21)18(2)3/h8H,4-7H2,1-3H3
InChIKeyRQZFMKYROJBRKE-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.38
Rot. Bonds2

About N,N-dimethyl-6-(5-methyl-1,2-oxazole-3-carbonyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide

N,N-dimethyl-6-(5-methyl-1,2-oxazole-3-carbonyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide (PubChem CID 97410610) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is N,N-dimethyl-6-(5-methyl-1,2-oxazole-3-carbonyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-6-(5-methyl-1,2-oxazole-3-carbonyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide
PubChem CID97410610
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC NameN,N-dimethyl-6-(5-methyl-1,2-oxazole-3-carbonyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide
SMILESCc1cc(C(=O)N2CCc3nc(C(=O)N(C)C)sc3CC2)no1
InChIInChI=1S/C15H18N4O3S/c1-9-8-11(17-22-9)14(20)19-6-4-10-12(5-7-19)23-13(16-10)15(21)18(2)3/h8H,4-7H2,1-3H3
InChIKeyRQZFMKYROJBRKE-UHFFFAOYSA-N
XLogP1.38
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-6-(2-methyl-1,3-thiazole-4-carbonyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide
CID 131690468
N,N-dimethyl-6-(1-methyl-1,2,4-triazole-3-carbonyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide;oxalic acid
CID 155870390
6-[4-(methoxymethyl)benzoyl]-N,N-dimethyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide
CID 131690446
5-methyl-N-[5-(5-methyl-1,2-oxazole-3-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1,2-oxazole-3-carboxamide
CID 90530430
6-[2-(4-methoxyphenyl)acetyl]-N,N-dimethyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide
CID 97361501
[4-[6-(cyclobutadienyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 68824281
6-[2-(1-methoxycyclobutyl)acetyl]-N,N-dimethyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide
CID 131690245
N,N-diethyl-6-(4-methoxybenzoyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide
CID 97442566
[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 118780550
(4-chloropiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 66155616
6-[(3-methoxyphenyl)methyl]-N,N-dimethyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide
CID 97442553
(4-bromopiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 80662471

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-(5-methyl-1,2-oxazole-3-carbonyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide?
The IUPAC name of N,N-dimethyl-6-(5-methyl-1,2-oxazole-3-carbonyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide (CID 97410610) is N,N-dimethyl-6-(5-methyl-1,2-oxazole-3-carbonyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-6-(5-methyl-1,2-oxazole-3-carbonyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-6-(5-methyl-1,2-oxazole-3-carbonyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide is Cc1cc(C(=O)N2CCc3nc(C(=O)N(C)C)sc3CC2)no1.
What is the InChIKey of N,N-dimethyl-6-(5-methyl-1,2-oxazole-3-carbonyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide?
The InChIKey is RQZFMKYROJBRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-9-8-11(17-22-9)14(20)19-6-4-10-12(5-7-19)23-13(16-10)15(21)18(2)3/h8H,4-7H2,1-3H3.
What are the key properties of N,N-dimethyl-6-(5-methyl-1,2-oxazole-3-carbonyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide?
N,N-dimethyl-6-(5-methyl-1,2-oxazole-3-carbonyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide has a molecular weight of 334.40 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-(5-methyl-1,2-oxazole-3-carbonyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide is sourced from PubChem (CID 97410610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).