4-(1-amino-3-phenylpropyl)-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine

C18H21N5O2S — CID 46944113

IUPAC4-(1-amino-3-phenylpropyl)-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine
SMILESCOc1cc(OC)nc(Nc2nc(C(N)CCc3ccccc3)cs2)n1
InChIInChI=1S/C18H21N5O2S/c1-24-15-10-16(25-2)22-17(21-15)23-18-20-14(11-26-18)13(19)9-8-12-6-4-3-5-7-12/h3-7,10-11,13H,8-9,19H2,1-2H3,(H,20,21,22,23)
InChIKeySEUWCOWHKYZRHU-UHFFFAOYSA-N
MW371.47 g/mol
LogP3.33
Rot. Bonds8

About 4-(1-amino-3-phenylpropyl)-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine

4-(1-amino-3-phenylpropyl)-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine (PubChem CID 46944113) has the molecular formula C18H21N5O2S and a molecular weight of 371.47 g/mol. Its IUPAC name is 4-(1-amino-3-phenylpropyl)-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(1-amino-3-phenylpropyl)-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine
PubChem CID46944113
Molecular FormulaC18H21N5O2S
Molecular Weight371.47 g/mol
Exact Mass371.14
IUPAC Name4-(1-amino-3-phenylpropyl)-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine
SMILESCOc1cc(OC)nc(Nc2nc(C(N)CCc3ccccc3)cs2)n1
InChIInChI=1S/C18H21N5O2S/c1-24-15-10-16(25-2)22-17(21-15)23-18-20-14(11-26-18)13(19)9-8-12-6-4-3-5-7-12/h3-7,10-11,13H,8-9,19H2,1-2H3,(H,20,21,22,23)
InChIKeySEUWCOWHKYZRHU-UHFFFAOYSA-N
XLogP3.33
TPSA95.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-(1-amino-3-phenylpropyl)-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine with MolForge

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Related Compounds

3-[[6-[[4-(1-amino-3-phenylpropyl)-1,3-thiazol-2-yl]amino]pyrimidin-4-yl]amino]propan-1-ol
CID 155553896
1-(6-methoxypyridazin-3-yl)-4-phenylbutan-1-amine
CID 103373753
N'-(4,6-dimethoxypyrimidin-2-yl)-1-phenylethane-1,2-diamine
CID 115355310
1-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-3-phenylpropan-1-amine
CID 114917451
4,6-dimethoxy-N-(1-phenylpropan-2-yl)pyrimidin-2-amine
CID 115355116
N-(4,6-dimethoxypyrimidin-2-yl)-1-phenylethane-1,2-diamine
CID 115355770
(2S)-2-[(4,6-dimethoxypyrimidin-2-yl)amino]-3-phenylpropanoic acid
CID 122049525
[1-(6-methoxypyrimidin-4-yl)-4-phenylbutyl]hydrazine
CID 102953393
(2R)-2-amino-3-phenyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide
CID 78985596
2-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-phenylbutanamide
CID 114927077
(1R)-1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine
CID 118879260
N-benzyl-4-propan-2-yl-1,3-thiazol-2-amine
CID 21355599

Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-3-phenylpropyl)-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(1-amino-3-phenylpropyl)-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine (CID 46944113) is 4-(1-amino-3-phenylpropyl)-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(1-amino-3-phenylpropyl)-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(1-amino-3-phenylpropyl)-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine is COc1cc(OC)nc(Nc2nc(C(N)CCc3ccccc3)cs2)n1.
What is the InChIKey of 4-(1-amino-3-phenylpropyl)-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine?
The InChIKey is SEUWCOWHKYZRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2S/c1-24-15-10-16(25-2)22-17(21-15)23-18-20-14(11-26-18)13(19)9-8-12-6-4-3-5-7-12/h3-7,10-11,13H,8-9,19H2,1-2H3,(H,20,21,22,23).
What are the key properties of 4-(1-amino-3-phenylpropyl)-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine?
4-(1-amino-3-phenylpropyl)-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine has a molecular weight of 371.47 g/mol, XLogP of 3.33, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-3-phenylpropyl)-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 46944113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).