2-N-(3-methyl-1,2-thiazol-5-yl)-4-N-(4-nitrosocyclohexyl)thieno[3,2-d]pyrimidine-2,4-diamine

C16H18N6OS2 — CID 145256388

IUPAC2-N-(3-methyl-1,2-thiazol-5-yl)-4-N-(4-nitrosocyclohexyl)thieno[3,2-d]pyrimidine-2,4-diamine
SMILESCc1cc(Nc2nc(NC3CCC(N=O)CC3)c3sccc3n2)sn1
InChIInChI=1S/C16H18N6OS2/c1-9-8-13(25-22-9)19-16-18-12-6-7-24-14(12)15(20-16)17-10-2-4-11(21-23)5-3-10/h6-8,10-11H,2-5H2,1H3,(H2,17,18,19,20)
InChIKeyWDPAMYSPLNOSMV-UHFFFAOYSA-N
MW374.50 g/mol
LogP4.69
Rot. Bonds5

About 2-N-(3-methyl-1,2-thiazol-5-yl)-4-N-(4-nitrosocyclohexyl)thieno[3,2-d]pyrimidine-2,4-diamine

2-N-(3-methyl-1,2-thiazol-5-yl)-4-N-(4-nitrosocyclohexyl)thieno[3,2-d]pyrimidine-2,4-diamine (PubChem CID 145256388) has the molecular formula C16H18N6OS2 and a molecular weight of 374.50 g/mol. Its IUPAC name is 2-N-(3-methyl-1,2-thiazol-5-yl)-4-N-(4-nitrosocyclohexyl)thieno[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-methyl-1,2-thiazol-5-yl)-4-N-(4-nitrosocyclohexyl)thieno[3,2-d]pyrimidine-2,4-diamine
PubChem CID145256388
Molecular FormulaC16H18N6OS2
Molecular Weight374.50 g/mol
Exact Mass374.10
IUPAC Name2-N-(3-methyl-1,2-thiazol-5-yl)-4-N-(4-nitrosocyclohexyl)thieno[3,2-d]pyrimidine-2,4-diamine
SMILESCc1cc(Nc2nc(NC3CCC(N=O)CC3)c3sccc3n2)sn1
InChIInChI=1S/C16H18N6OS2/c1-9-8-13(25-22-9)19-16-18-12-6-7-24-14(12)15(20-16)17-10-2-4-11(21-23)5-3-10/h6-8,10-11H,2-5H2,1H3,(H2,17,18,19,20)
InChIKeyWDPAMYSPLNOSMV-UHFFFAOYSA-N
XLogP4.69
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.50
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

4-N-(4-iodocyclohexyl)-2-N-(3-methyl-1,2-thiazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 145256377
4-[[2-[(3-methyl-1,2-thiazol-5-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexane-1-carbaldehyde
CID 135128194
2-N-(3-methyl-1,2-thiazol-5-yl)-4-N-[(3R)-pyrrolidin-3-yl]thieno[3,2-d]pyrimidine-2,4-diamine
CID 122420545
2-[4-[[2-[(3-methyl-1,2-thiazol-5-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]ethanesulfonic acid
CID 175184302
(1S,2R,3S)-3-ethyl-5-[[2-[(3-methyl-1,2-thiazol-5-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentane-1,2-diol
CID 156905915
4-N-cyclobutyl-5-(1-methylpyrazol-4-yl)-2-N-(3-methyl-1,2-thiazol-5-yl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 135129265
4-[[2-[4-(4-methylpiperazin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 156905925
N-[1-[4-[[4-(cyclopropylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-2-fluorophenyl]piperidin-4-yl]acetamide
CID 25015931
1-[(3R)-3-[[2-[(3-methyl-1,2-thiazol-5-yl)amino]thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one
CID 122470533
5-(1-methylpyrazol-4-yl)-2-N-(3-methyl-1,2-thiazol-5-yl)-4-N-(oxan-4-yl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 135129117
1-[(3R)-3-[[2-[(3-methyl-1,2-oxazol-5-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one
CID 122470526
1-[4-[[2-[3-methyl-4-[(1-methylpiperidin-4-yl)methyl]anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one
CID 157426035

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-methyl-1,2-thiazol-5-yl)-4-N-(4-nitrosocyclohexyl)thieno[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(3-methyl-1,2-thiazol-5-yl)-4-N-(4-nitrosocyclohexyl)thieno[3,2-d]pyrimidine-2,4-diamine (CID 145256388) is 2-N-(3-methyl-1,2-thiazol-5-yl)-4-N-(4-nitrosocyclohexyl)thieno[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(3-methyl-1,2-thiazol-5-yl)-4-N-(4-nitrosocyclohexyl)thieno[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(3-methyl-1,2-thiazol-5-yl)-4-N-(4-nitrosocyclohexyl)thieno[3,2-d]pyrimidine-2,4-diamine is Cc1cc(Nc2nc(NC3CCC(N=O)CC3)c3sccc3n2)sn1.
What is the InChIKey of 2-N-(3-methyl-1,2-thiazol-5-yl)-4-N-(4-nitrosocyclohexyl)thieno[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is WDPAMYSPLNOSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6OS2/c1-9-8-13(25-22-9)19-16-18-12-6-7-24-14(12)15(20-16)17-10-2-4-11(21-23)5-3-10/h6-8,10-11H,2-5H2,1H3,(H2,17,18,19,20).
What are the key properties of 2-N-(3-methyl-1,2-thiazol-5-yl)-4-N-(4-nitrosocyclohexyl)thieno[3,2-d]pyrimidine-2,4-diamine?
2-N-(3-methyl-1,2-thiazol-5-yl)-4-N-(4-nitrosocyclohexyl)thieno[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 374.50 g/mol, XLogP of 4.69, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-methyl-1,2-thiazol-5-yl)-4-N-(4-nitrosocyclohexyl)thieno[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 145256388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).