N',N'-dimethyl-N-[4-[(2-methyl-1,3-benzothiazol-5-yl)oxy]thieno[3,2-d]pyrimidin-2-yl]ethane-1,2-diamine

C18H19N5OS2 — CID 46948405

IUPACN',N'-dimethyl-N-[4-[(2-methyl-1,3-benzothiazol-5-yl)oxy]thieno[3,2-d]pyrimidin-2-yl]ethane-1,2-diamine
SMILESCc1nc2cc(Oc3nc(NCCN(C)C)nc4ccsc34)ccc2s1
InChIInChI=1S/C18H19N5OS2/c1-11-20-14-10-12(4-5-15(14)26-11)24-17-16-13(6-9-25-16)21-18(22-17)19-7-8-23(2)3/h4-6,9-10H,7-8H2,1-3H3,(H,19,21,22)
InChIKeyQNRYHCVFLQSUAB-UHFFFAOYSA-N
MW385.52 g/mol
LogP4.38
Rot. Bonds6

About N',N'-dimethyl-N-[4-[(2-methyl-1,3-benzothiazol-5-yl)oxy]thieno[3,2-d]pyrimidin-2-yl]ethane-1,2-diamine

N',N'-dimethyl-N-[4-[(2-methyl-1,3-benzothiazol-5-yl)oxy]thieno[3,2-d]pyrimidin-2-yl]ethane-1,2-diamine (PubChem CID 46948405) has the molecular formula C18H19N5OS2 and a molecular weight of 385.52 g/mol. Its IUPAC name is N',N'-dimethyl-N-[4-[(2-methyl-1,3-benzothiazol-5-yl)oxy]thieno[3,2-d]pyrimidin-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[4-[(2-methyl-1,3-benzothiazol-5-yl)oxy]thieno[3,2-d]pyrimidin-2-yl]ethane-1,2-diamine
PubChem CID46948405
Molecular FormulaC18H19N5OS2
Molecular Weight385.52 g/mol
Exact Mass385.10
IUPAC NameN',N'-dimethyl-N-[4-[(2-methyl-1,3-benzothiazol-5-yl)oxy]thieno[3,2-d]pyrimidin-2-yl]ethane-1,2-diamine
SMILESCc1nc2cc(Oc3nc(NCCN(C)C)nc4ccsc34)ccc2s1
InChIInChI=1S/C18H19N5OS2/c1-11-20-14-10-12(4-5-15(14)26-11)24-17-16-13(6-9-25-16)21-18(22-17)19-7-8-23(2)3/h4-6,9-10H,7-8H2,1-3H3,(H,19,21,22)
InChIKeyQNRYHCVFLQSUAB-UHFFFAOYSA-N
XLogP4.38
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.52
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N',N'-dimethyl-N-[4-[(2-methyl-1,3-benzothiazol-5-yl)oxy]thieno[3,2-d]pyrimidin-2-yl]ethane-1,2-diamine with MolForge

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Related Compounds

Olmutinib
CID 54758501
9-butyl-8-[(7-methoxy-1,3-benzothiazol-2-yl)sulfanyl]-9H-purin-6-amine
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1-(3-Methoxyphenyl)-3-[5-(2-{thieno[3,2-d]pyrimidin-4-ylamino}ethyl)-1,3-thiazol-2-yl]urea
CID 25138110
N-(3-phenoxyphenyl)-4-(thiazol-2-yl)pyrimidin-2-amine
CID 10291291
9-butyl-8-[(7-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-9H-purin-6-amine
CID 11850893
2-(Methylsulfanyl)-4-phenoxythieno[3,2-d]pyrimidine
CID 1484663
5-methoxy-N-(4-(pyridin-2-yl)thiazol-2-yl)benzo[d]thiazol-2-amine
CID 16819665
(E)-N-[3-[2-(3-methoxyanilino)thieno[3,2-d]pyrimidin-4-yl]oxyphenyl]hex-2-enamide
CID 162663555
N-[3-[2-(3-methoxyanilino)thieno[3,2-d]pyrimidin-4-yl]oxyphenyl]prop-2-enamide
CID 162667534
Benzothiazole, 5-methoxy-2-(beta-(1-pyrrolidinyl)-p-phenetidino)-
CID 38054
6-{[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 2194224
2-(Allylsulfanyl)-4-phenoxythieno[3,2-d]pyrimidine
CID 3382829

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[4-[(2-methyl-1,3-benzothiazol-5-yl)oxy]thieno[3,2-d]pyrimidin-2-yl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[4-[(2-methyl-1,3-benzothiazol-5-yl)oxy]thieno[3,2-d]pyrimidin-2-yl]ethane-1,2-diamine (CID 46948405) is N',N'-dimethyl-N-[4-[(2-methyl-1,3-benzothiazol-5-yl)oxy]thieno[3,2-d]pyrimidin-2-yl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[4-[(2-methyl-1,3-benzothiazol-5-yl)oxy]thieno[3,2-d]pyrimidin-2-yl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[4-[(2-methyl-1,3-benzothiazol-5-yl)oxy]thieno[3,2-d]pyrimidin-2-yl]ethane-1,2-diamine is Cc1nc2cc(Oc3nc(NCCN(C)C)nc4ccsc34)ccc2s1.
What is the InChIKey of N',N'-dimethyl-N-[4-[(2-methyl-1,3-benzothiazol-5-yl)oxy]thieno[3,2-d]pyrimidin-2-yl]ethane-1,2-diamine?
The InChIKey is QNRYHCVFLQSUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5OS2/c1-11-20-14-10-12(4-5-15(14)26-11)24-17-16-13(6-9-25-16)21-18(22-17)19-7-8-23(2)3/h4-6,9-10H,7-8H2,1-3H3,(H,19,21,22).
What are the key properties of N',N'-dimethyl-N-[4-[(2-methyl-1,3-benzothiazol-5-yl)oxy]thieno[3,2-d]pyrimidin-2-yl]ethane-1,2-diamine?
N',N'-dimethyl-N-[4-[(2-methyl-1,3-benzothiazol-5-yl)oxy]thieno[3,2-d]pyrimidin-2-yl]ethane-1,2-diamine has a molecular weight of 385.52 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[4-[(2-methyl-1,3-benzothiazol-5-yl)oxy]thieno[3,2-d]pyrimidin-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 46948405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).