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

C14H10N4S2 — CID 31618595

IUPACN-(1,3-benzothiazol-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESc1ccc2sc(CNc3ncnc4sccc34)nc2c1
InChIInChI=1S/C14H10N4S2/c1-2-4-11-10(3-1)18-12(20-11)7-15-13-9-5-6-19-14(9)17-8-16-13/h1-6,8H,7H2,(H,15,16,17)
InChIKeyLMXUEJHUPSSAAJ-UHFFFAOYSA-N
MW298.40 g/mol
LogP3.91
Rot. Bonds3

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

N-(1,3-benzothiazol-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 31618595) has the molecular formula C14H10N4S2 and a molecular weight of 298.40 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID31618595
Molecular FormulaC14H10N4S2
Molecular Weight298.40 g/mol
Exact Mass298.03
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESc1ccc2sc(CNc3ncnc4sccc34)nc2c1
InChIInChI=1S/C14H10N4S2/c1-2-4-11-10(3-1)18-12(20-11)7-15-13-9-5-6-19-14(9)17-8-16-13/h1-6,8H,7H2,(H,15,16,17)
InChIKeyLMXUEJHUPSSAAJ-UHFFFAOYSA-N
XLogP3.91
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.40
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]thieno[2,3-d]pyrimidin-4-amine
CID 9101289
N-[(4-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 2457693
N-(2,2-dimethylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 13038283
N-(1,3-benzothiazol-2-ylmethyl)-1-(1,3-thiazol-2-yl)methanamine
CID 61283669
N-(1,3-thiazol-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 49430878
3-(thieno[2,3-d]pyrimidin-4-ylamino)propanenitrile
CID 9107580
N-(3-phenylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 62402452
N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 79358667
N-(cyclopropylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 43112087
N-(1,3-benzothiazol-2-ylmethyl)-2-iodoaniline
CID 60678883
4-N-[2-(1,3-benzothiazol-2-yl)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 86817522
N-[[1-(2-fluorophenyl)cyclopropyl]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 133311493

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 31618595) is N-(1,3-benzothiazol-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is c1ccc2sc(CNc3ncnc4sccc34)nc2c1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is LMXUEJHUPSSAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4S2/c1-2-4-11-10(3-1)18-12(20-11)7-15-13-9-5-6-19-14(9)17-8-16-13/h1-6,8H,7H2,(H,15,16,17).
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
N-(1,3-benzothiazol-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 298.40 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 31618595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).