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

C20H14N4S2 — CID 9101289

IUPACN-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]thieno[2,3-d]pyrimidin-4-amine
SMILESc1ccc2sc(Cc3ccc(Nc4ncnc5sccc45)cc3)nc2c1
InChIInChI=1S/C20H14N4S2/c1-2-4-17-16(3-1)24-18(26-17)11-13-5-7-14(8-6-13)23-19-15-9-10-25-20(15)22-12-21-19/h1-10,12H,11H2,(H,21,22,23)
InChIKeyMCUFLKCWRNSEOD-UHFFFAOYSA-N
MW374.49 g/mol
LogP5.64
Rot. Bonds4

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

N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 9101289) has the molecular formula C20H14N4S2 and a molecular weight of 374.49 g/mol. Its IUPAC name is N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID9101289
Molecular FormulaC20H14N4S2
Molecular Weight374.49 g/mol
Exact Mass374.07
IUPAC NameN-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]thieno[2,3-d]pyrimidin-4-amine
SMILESc1ccc2sc(Cc3ccc(Nc4ncnc5sccc45)cc3)nc2c1
InChIInChI=1S/C20H14N4S2/c1-2-4-17-16(3-1)24-18(26-17)11-13-5-7-14(8-6-13)23-19-15-9-10-25-20(15)22-12-21-19/h1-10,12H,11H2,(H,21,22,23)
InChIKeyMCUFLKCWRNSEOD-UHFFFAOYSA-N
XLogP5.64
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.49
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 31618595
N-(6-benzyl-3-pyridinyl)thieno[2,3-d]pyrimidin-4-amine
CID 91319173
N-naphthalen-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 2495547
N-[4-(pyrrolidin-1-ylmethyl)phenyl]thieno[2,3-d]pyrimidin-4-amine
CID 17430718
5-(1,3-benzothiazol-2-ylmethyl)pyridin-2-amine
CID 79818659
N-[4-[[4-(1,3-benzothiazol-2-ylamino)phenyl]methyl]phenyl]-1,3-benzothiazol-2-amine
CID 14688876
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]benzenesulfonamide
CID 8004145
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-methylthiophene-2-carboxamide
CID 42116254
4-N-(1,3-benzothiazol-2-yl)-6-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544317
N-(4-benzylphenyl)thieno[3,2-d]pyrimidin-4-amine;hydrochloride
CID 22112828
methyl 4-(thieno[2,3-d]pyrimidin-4-ylamino)benzoate
CID 2453988
1-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-benzylthiourea
CID 8628473

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]thieno[2,3-d]pyrimidin-4-amine (CID 9101289) is N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]thieno[2,3-d]pyrimidin-4-amine is c1ccc2sc(Cc3ccc(Nc4ncnc5sccc45)cc3)nc2c1.
What is the InChIKey of N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is MCUFLKCWRNSEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4S2/c1-2-4-17-16(3-1)24-18(26-17)11-13-5-7-14(8-6-13)23-19-15-9-10-25-20(15)22-12-21-19/h1-10,12H,11H2,(H,21,22,23).
What are the key properties of N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]thieno[2,3-d]pyrimidin-4-amine?
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 374.49 g/mol, XLogP of 5.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 9101289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).