N-(1,3-benzothiazol-2-ylmethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine

C17H16N4S2 — CID 8567987

IUPACN-(1,3-benzothiazol-2-ylmethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(N(C)Cc3nc4ccccc4s3)c2c1C
InChIInChI=1S/C17H16N4S2/c1-10-11(2)22-17-15(10)16(18-9-19-17)21(3)8-14-20-12-6-4-5-7-13(12)23-14/h4-7,9H,8H2,1-3H3
InChIKeyLGGAONMJKYFEIX-UHFFFAOYSA-N
MW340.48 g/mol
LogP4.55
Rot. Bonds3

About N-(1,3-benzothiazol-2-ylmethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine

N-(1,3-benzothiazol-2-ylmethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 8567987) has the molecular formula C17H16N4S2 and a molecular weight of 340.48 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID8567987
Molecular FormulaC17H16N4S2
Molecular Weight340.48 g/mol
Exact Mass340.08
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(N(C)Cc3nc4ccccc4s3)c2c1C
InChIInChI=1S/C17H16N4S2/c1-10-11(2)22-17-15(10)16(18-9-19-17)21(3)8-14-20-12-6-4-5-7-13(12)23-14/h4-7,9H,8H2,1-3H3
InChIKeyLGGAONMJKYFEIX-UHFFFAOYSA-N
XLogP4.55
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.48
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-N-methylquinoxalin-2-amine
CID 33373467
1,3-benzothiazol-2-ylmethyl 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate
CID 7212154
N-(2-chloropropyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 63392466
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 9196022
2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]ethanesulfonamide
CID 138030516
N-(1,3-benzothiazol-2-yl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-ethylacetamide
CID 28578031
methyl 3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]propanoate
CID 62006529
N'-(1,3-benzothiazol-2-ylmethyl)-N'-methylethane-1,2-diamine
CID 62687569
N-(1-bromopropan-2-yl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 104555275
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-methylpropanoic acid
CID 62817497
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 55143623
N-(1,3-benzothiazol-2-ylmethyl)-4-ethyl-N,5-dimethylthiophene-2-carboxamide
CID 9393068

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine (CID 8567987) is N-(1,3-benzothiazol-2-ylmethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine is Cc1sc2ncnc(N(C)Cc3nc4ccccc4s3)c2c1C.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is LGGAONMJKYFEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4S2/c1-10-11(2)22-17-15(10)16(18-9-19-17)21(3)8-14-20-12-6-4-5-7-13(12)23-14/h4-7,9H,8H2,1-3H3.
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
N-(1,3-benzothiazol-2-ylmethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 340.48 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 8567987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).