4-[amino-(2-chlorophenyl)methyl]-N-phthalazin-1-yl-1,3-thiazol-2-amine

C18H14ClN5S — CID 46943091

IUPAC4-[amino-(2-chlorophenyl)methyl]-N-phthalazin-1-yl-1,3-thiazol-2-amine
SMILESNC(c1csc(Nc2nncc3ccccc23)n1)c1ccccc1Cl
InChIInChI=1S/C18H14ClN5S/c19-14-8-4-3-7-13(14)16(20)15-10-25-18(22-15)23-17-12-6-2-1-5-11(12)9-21-24-17/h1-10,16H,20H2,(H,22,23,24)
InChIKeyGCRYBPRWBPKFMF-UHFFFAOYSA-N
MW367.87 g/mol
LogP4.53
Rot. Bonds4

About 4-[amino-(2-chlorophenyl)methyl]-N-phthalazin-1-yl-1,3-thiazol-2-amine

4-[amino-(2-chlorophenyl)methyl]-N-phthalazin-1-yl-1,3-thiazol-2-amine (PubChem CID 46943091) has the molecular formula C18H14ClN5S and a molecular weight of 367.87 g/mol. Its IUPAC name is 4-[amino-(2-chlorophenyl)methyl]-N-phthalazin-1-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[amino-(2-chlorophenyl)methyl]-N-phthalazin-1-yl-1,3-thiazol-2-amine
PubChem CID46943091
Molecular FormulaC18H14ClN5S
Molecular Weight367.87 g/mol
Exact Mass367.07
IUPAC Name4-[amino-(2-chlorophenyl)methyl]-N-phthalazin-1-yl-1,3-thiazol-2-amine
SMILESNC(c1csc(Nc2nncc3ccccc23)n1)c1ccccc1Cl
InChIInChI=1S/C18H14ClN5S/c19-14-8-4-3-7-13(14)16(20)15-10-25-18(22-15)23-17-12-6-2-1-5-11(12)9-21-24-17/h1-10,16H,20H2,(H,22,23,24)
InChIKeyGCRYBPRWBPKFMF-UHFFFAOYSA-N
XLogP4.53
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.87
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[amino-(2-chlorophenyl)methyl]-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 46942640
4-[[4-[amino-(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-N-(2-hydroxyethyl)benzamide
CID 71448457
(2-chlorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 105099807
2-chloro-5-(phthalazin-1-ylamino)benzoic acid
CID 60860552
(7-bromo-1-benzothiophen-3-yl)-(2-chlorophenyl)methanamine
CID 81142277
methyl (2S)-2-(2-chlorophenyl)-2-(4-phthalazin-1-ylpiperazin-1-yl)acetate
CID 95735599
(2-chlorophenyl)-(thiadiazol-5-yl)methanamine
CID 105099805
N-(2,2-difluoroethyl)phthalazin-1-amine
CID 115407622
4,4-dimethyl-1-N-phthalazin-1-ylpentane-1,2-diamine
CID 107159159
N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;phthalazin-1-ylhydrazine
CID 66971586
N-(1-chloro-3-methoxypropan-2-yl)phthalazin-1-amine
CID 106182000
N-[1-chloro-2-(chloromethyl)butan-2-yl]phthalazin-1-amine
CID 114010824

Frequently Asked Questions

What is the IUPAC name of 4-[amino-(2-chlorophenyl)methyl]-N-phthalazin-1-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-[amino-(2-chlorophenyl)methyl]-N-phthalazin-1-yl-1,3-thiazol-2-amine (CID 46943091) is 4-[amino-(2-chlorophenyl)methyl]-N-phthalazin-1-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[amino-(2-chlorophenyl)methyl]-N-phthalazin-1-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-[amino-(2-chlorophenyl)methyl]-N-phthalazin-1-yl-1,3-thiazol-2-amine is NC(c1csc(Nc2nncc3ccccc23)n1)c1ccccc1Cl.
What is the InChIKey of 4-[amino-(2-chlorophenyl)methyl]-N-phthalazin-1-yl-1,3-thiazol-2-amine?
The InChIKey is GCRYBPRWBPKFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5S/c19-14-8-4-3-7-13(14)16(20)15-10-25-18(22-15)23-17-12-6-2-1-5-11(12)9-21-24-17/h1-10,16H,20H2,(H,22,23,24).
What are the key properties of 4-[amino-(2-chlorophenyl)methyl]-N-phthalazin-1-yl-1,3-thiazol-2-amine?
4-[amino-(2-chlorophenyl)methyl]-N-phthalazin-1-yl-1,3-thiazol-2-amine has a molecular weight of 367.87 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino-(2-chlorophenyl)methyl]-N-phthalazin-1-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 46943091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).