methane;4-methyl-5-[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine

C20H25N5OS — CID 159848365

IUPACmethane;4-methyl-5-[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESC.Cc1nc(N)sc1-c1ccnc(Cc2ccc(N3CCOCC3)cc2)n1
InChIInChI=1S/C19H21N5OS.CH4/c1-13-18(26-19(20)22-13)16-6-7-21-17(23-16)12-14-2-4-15(5-3-14)24-8-10-25-11-9-24;/h2-7H,8-12H2,1H3,(H2,20,22);1H4
InChIKeyNPPISFZEHJTYJT-UHFFFAOYSA-N
MW383.52 g/mol
LogP3.55
Rot. Bonds4

About methane;4-methyl-5-[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine

methane;4-methyl-5-[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine (PubChem CID 159848365) has the molecular formula C20H25N5OS and a molecular weight of 383.52 g/mol. Its IUPAC name is methane;4-methyl-5-[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Namemethane;4-methyl-5-[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine
PubChem CID159848365
Molecular FormulaC20H25N5OS
Molecular Weight383.52 g/mol
Exact Mass383.18
IUPAC Namemethane;4-methyl-5-[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESC.Cc1nc(N)sc1-c1ccnc(Cc2ccc(N3CCOCC3)cc2)n1
InChIInChI=1S/C19H21N5OS.CH4/c1-13-18(26-19(20)22-13)16-6-7-21-17(23-16)12-14-2-4-15(5-3-14)24-8-10-25-11-9-24;/h2-7H,8-12H2,1H3,(H2,20,22);1H4
InChIKeyNPPISFZEHJTYJT-UHFFFAOYSA-N
XLogP3.55
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze methane;4-methyl-5-[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]phenyl]-3-oxobutanenitrile
CID 157074303
3-chloro-5-[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]benzonitrile
CID 146915900
4-methyl-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 155315773
5-[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]-2-(propan-2-ylamino)benzonitrile
CID 160572474
5-[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]-2-propan-2-yloxybenzonitrile
CID 149471517
(2S)-2-hydroxy-2-methyl-N-[4-[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]phenyl]butanamide
CID 69021708
4-methyl-5-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]-N-(2-phenylethyl)-1,3-thiazol-2-amine
CID 11540100
2,4-bis[4-[4-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]pentan-3-one
CID 174512390
N-ethyl-4-methyl-5-[2-(2-methyl-4-morpholin-4-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 11538800
2-[(4-methoxyphenyl)methoxy]-5-[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]benzonitrile
CID 157485501
3-methyl-4-[5-methyl-2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]sulfanylaniline
CID 158520670
(5Z)-5-[[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 148796335

Frequently Asked Questions

What is the IUPAC name of methane;4-methyl-5-[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of methane;4-methyl-5-[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine (CID 159848365) is methane;4-methyl-5-[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for methane;4-methyl-5-[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for methane;4-methyl-5-[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine is C.Cc1nc(N)sc1-c1ccnc(Cc2ccc(N3CCOCC3)cc2)n1.
What is the InChIKey of methane;4-methyl-5-[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine?
The InChIKey is NPPISFZEHJTYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS.CH4/c1-13-18(26-19(20)22-13)16-6-7-21-17(23-16)12-14-2-4-15(5-3-14)24-8-10-25-11-9-24;/h2-7H,8-12H2,1H3,(H2,20,22);1H4.
What are the key properties of methane;4-methyl-5-[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine?
methane;4-methyl-5-[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine has a molecular weight of 383.52 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methane;4-methyl-5-[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 159848365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).