N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C14H17N3O4S2 — CID 126470388

IUPACN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCSc1nc2sccn2c(=O)c1C(=O)NCC1COC(C)(C)O1
InChIInChI=1S/C14H17N3O4S2/c1-14(2)20-7-8(21-14)6-15-10(18)9-11(22-3)16-13-17(12(9)19)4-5-23-13/h4-5,8H,6-7H2,1-3H3,(H,15,18)
InChIKeyJVZMSTQOTPGMDH-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.36
Rot. Bonds4

About N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126470388) has the molecular formula C14H17N3O4S2 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID126470388
Molecular FormulaC14H17N3O4S2
Molecular Weight355.44 g/mol
Exact Mass355.07
IUPAC NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCSc1nc2sccn2c(=O)c1C(=O)NCC1COC(C)(C)O1
InChIInChI=1S/C14H17N3O4S2/c1-14(2)20-7-8(21-14)6-15-10(18)9-11(22-3)16-13-17(12(9)19)4-5-23-13/h4-5,8H,6-7H2,1-3H3,(H,15,18)
InChIKeyJVZMSTQOTPGMDH-UHFFFAOYSA-N
XLogP1.36
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-cyclopropyl-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126471162
7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
CID 14319826
7-methylsulfanyl-5-oxo-N-[(2-phenoxyphenyl)methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126470169
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methylpyridine-2-carboxamide
CID 103762618
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 126471029
2-N,5-N-bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,6-bis[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]pyrazine-2,5-dicarboxamide
CID 53387076
6-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyridine-2-carboxamide
CID 113351467
4-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]benzamide
CID 103762524
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-iodobenzamide
CID 44756377
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]quinoline-2-carboxamide
CID 103762543
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-iodobenzamide
CID 103762608
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,5-dimethylbenzamide
CID 113264578

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126470388) is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CSc1nc2sccn2c(=O)c1C(=O)NCC1COC(C)(C)O1.
What is the InChIKey of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is JVZMSTQOTPGMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S2/c1-14(2)20-7-8(21-14)6-15-10(18)9-11(22-3)16-13-17(12(9)19)4-5-23-13/h4-5,8H,6-7H2,1-3H3,(H,15,18).
What are the key properties of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126470388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).