3,6-dimethyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide

C17H18N4O3S — CID 91949858

IUPAC3,6-dimethyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2ncn(C)c(=O)c2c1C(=O)Nc1nc2c(s1)CC(C)CC2
InChIInChI=1S/C17H18N4O3S/c1-8-4-5-10-11(6-8)25-17(19-10)20-14(22)12-9(2)24-15-13(12)16(23)21(3)7-18-15/h7-8H,4-6H2,1-3H3,(H,19,20,22)
InChIKeyLDONTPUMULQMHA-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.67
Rot. Bonds2

About 3,6-dimethyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide

3,6-dimethyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide (PubChem CID 91949858) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is 3,6-dimethyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name3,6-dimethyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
PubChem CID91949858
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC Name3,6-dimethyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2ncn(C)c(=O)c2c1C(=O)Nc1nc2c(s1)CC(C)CC2
InChIInChI=1S/C17H18N4O3S/c1-8-4-5-10-11(6-8)25-17(19-10)20-14(22)12-9(2)24-15-13(12)16(23)21(3)7-18-15/h7-8H,4-6H2,1-3H3,(H,19,20,22)
InChIKeyLDONTPUMULQMHA-UHFFFAOYSA-N
XLogP2.67
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1,5-dimethyl-6-oxopyrimidin-4-yl)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 91951790
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 91949926
2-methyl-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]pyrazole-3-carboxamide
CID 25284514
5-chloro-3-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-phenylpyrazole-4-carboxamide
CID 18225928
5-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 16953633
4-(diethylamino)-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
CID 6936066
N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]furan-2-carboxamide
CID 976760
5-bromo-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]furan-2-carboxamide
CID 42280055
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 5132842
4-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,2,5-oxadiazole-3-carboxamide
CID 110226476
N-(3-acetylphenyl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 40660482
4-(5-methylpyrazol-1-yl)-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
CID 32573806

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 3,6-dimethyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide (CID 91949858) is 3,6-dimethyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 3,6-dimethyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 3,6-dimethyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide is Cc1oc2ncn(C)c(=O)c2c1C(=O)Nc1nc2c(s1)CC(C)CC2.
What is the InChIKey of 3,6-dimethyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is LDONTPUMULQMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S/c1-8-4-5-10-11(6-8)25-17(19-10)20-14(22)12-9(2)24-15-13(12)16(23)21(3)7-18-15/h7-8H,4-6H2,1-3H3,(H,19,20,22).
What are the key properties of 3,6-dimethyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
3,6-dimethyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 358.42 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 91949858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).