4-N,4-N-dimethyl-1-N-(2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)benzene-1,4-diamine

C18H19N5S — CID 11163528

IUPAC4-N,4-N-dimethyl-1-N-(2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)benzene-1,4-diamine
SMILESCc1nc2c(s1)-c1nc(Nc3ccc(N(C)C)cc3)ncc1CC2
InChIInChI=1S/C18H19N5S/c1-11-20-15-9-4-12-10-19-18(22-16(12)17(15)24-11)21-13-5-7-14(8-6-13)23(2)3/h5-8,10H,4,9H2,1-3H3,(H,19,21,22)
InChIKeyLQAKEBHLLHQRTR-UHFFFAOYSA-N
MW337.45 g/mol
LogP3.82
Rot. Bonds3

About 4-N,4-N-dimethyl-1-N-(2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)benzene-1,4-diamine

4-N,4-N-dimethyl-1-N-(2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)benzene-1,4-diamine (PubChem CID 11163528) has the molecular formula C18H19N5S and a molecular weight of 337.45 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-1-N-(2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-1-N-(2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)benzene-1,4-diamine
PubChem CID11163528
Molecular FormulaC18H19N5S
Molecular Weight337.45 g/mol
Exact Mass337.14
IUPAC Name4-N,4-N-dimethyl-1-N-(2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)benzene-1,4-diamine
SMILESCc1nc2c(s1)-c1nc(Nc3ccc(N(C)C)cc3)ncc1CC2
InChIInChI=1S/C18H19N5S/c1-11-20-15-9-4-12-10-19-18(22-16(12)17(15)24-11)21-13-5-7-14(8-6-13)23(2)3/h5-8,10H,4,9H2,1-3H3,(H,19,21,22)
InChIKeyLQAKEBHLLHQRTR-UHFFFAOYSA-N
XLogP3.82
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-(2,4-Dimethyl-1,3-thiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]-2-pyrimidinamine
CID 447958
N-(4-(2,4-Dimethyl-thiazol-5-YL)-pyrimidin-2-YL)-N',N'-dimethyl-benzene-1,4-diamine
CID 447962
N4-isobutyl-N2-((2-phenylthiazol-4-yl)methyl)pyrimidine-2,4-diamine
CID 71304818
2-Pyrimidinamine, 4-(2,4-dimethyl-5-thiazolyl)-N-phenyl-
CID 6539280
2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 35
CID 6539300
2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 36
CID 6539301
N'-[4-(2-Amino-4-Methyl-1,3-Thiazol-5-Yl)pyrimidin-2-Yl]-N,N-Dimethylbenzene-1,4-Diamine
CID 6539304
[4-(4-Methyl-2-methylamino-thiazol-5-yl)-pyrimidin-2-yl]-(4-piperazin-1-yl-phenyl)-amine
CID 10022738
[4-(2,4-Dimethyl-thiazol-5-yl)-pyrimidin-2-yl]-[4-(4-methyl-piperazin-1-yl)-phenyl]-amine
CID 10091185
(2-Methyl-4,5-dihydro-thiazolo[4,5-h]quinazolin-8-yl)-(3-nitro-phenyl)-amine
CID 11163580
N1-(4-(2,4-Dimethylthiazol-5-yl)pyrimidin-2-yl)benzene-1,4-diamine
CID 46830767
(2-Methyl-4,5-dihydro-thiazolo[4,5-h]quinazolin-8-yl)-phenyl-amine
CID 11150562

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-1-N-(2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)benzene-1,4-diamine?
The IUPAC name of 4-N,4-N-dimethyl-1-N-(2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)benzene-1,4-diamine (CID 11163528) is 4-N,4-N-dimethyl-1-N-(2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)benzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-1-N-(2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)benzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-1-N-(2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)benzene-1,4-diamine is Cc1nc2c(s1)-c1nc(Nc3ccc(N(C)C)cc3)ncc1CC2.
What is the InChIKey of 4-N,4-N-dimethyl-1-N-(2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)benzene-1,4-diamine?
The InChIKey is LQAKEBHLLHQRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5S/c1-11-20-15-9-4-12-10-19-18(22-16(12)17(15)24-11)21-13-5-7-14(8-6-13)23(2)3/h5-8,10H,4,9H2,1-3H3,(H,19,21,22).
What are the key properties of 4-N,4-N-dimethyl-1-N-(2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)benzene-1,4-diamine?
4-N,4-N-dimethyl-1-N-(2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)benzene-1,4-diamine has a molecular weight of 337.45 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-1-N-(2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)benzene-1,4-diamine is sourced from PubChem (CID 11163528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).