(1R)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-morpholin-4-yl-1-phenylethanamine

C18H25N3OS — CID 97333489

IUPAC(1R)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-morpholin-4-yl-1-phenylethanamine
SMILESCc1nc(CN[C@@H](CN2CCOCC2)c2ccccc2)sc1C
InChIInChI=1S/C18H25N3OS/c1-14-15(2)23-18(20-14)12-19-17(16-6-4-3-5-7-16)13-21-8-10-22-11-9-21/h3-7,17,19H,8-13H2,1-2H3/t17-/m0/s1
InChIKeyPJAIMQANLGCUMU-KRWDZBQOSA-N
MW331.49 g/mol
LogP2.92
Rot. Bonds6

About (1R)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-morpholin-4-yl-1-phenylethanamine

(1R)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-morpholin-4-yl-1-phenylethanamine (PubChem CID 97333489) has the molecular formula C18H25N3OS and a molecular weight of 331.49 g/mol. Its IUPAC name is (1R)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-morpholin-4-yl-1-phenylethanamine.

Molecular Properties

Compound Name(1R)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-morpholin-4-yl-1-phenylethanamine
PubChem CID97333489
Molecular FormulaC18H25N3OS
Molecular Weight331.49 g/mol
Exact Mass331.17
IUPAC Name(1R)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-morpholin-4-yl-1-phenylethanamine
SMILESCc1nc(CN[C@@H](CN2CCOCC2)c2ccccc2)sc1C
InChIInChI=1S/C18H25N3OS/c1-14-15(2)23-18(20-14)12-19-17(16-6-4-3-5-7-16)13-21-8-10-22-11-9-21/h3-7,17,19H,8-13H2,1-2H3/t17-/m0/s1
InChIKeyPJAIMQANLGCUMU-KRWDZBQOSA-N
XLogP2.92
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.49
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-morpholin-4-yl-1-phenylethanamine with MolForge

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]-2-morpholin-4-yl-1-phenylethanamine
CID 78823600
5-methyl-N-(2-morpholin-4-yl-1-phenylethyl)pyrimidin-2-amine
CID 138994630
[(1S)-2-morpholin-4-yl-1-phenylethyl]carbamic acid
CID 68931667
3-methyl-7-[[[(1R)-2-morpholin-4-yl-1-phenylethyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 9451764
2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-phenylethanamine
CID 65168981
N-(2-morpholin-4-ylethyl)-1-phenyl-2-piperidin-1-ylethanamine
CID 51000971
N-[[4-(difluoromethylsulfonyl)phenyl]methyl]-2-morpholin-4-yl-1-phenylethanamine
CID 112804329
N-[(3,4-diethoxyphenyl)methyl]-2-morpholin-4-yl-1-phenylethanamine
CID 78825398
1-(2-methylphenyl)-3-[(1S)-2-morpholin-4-yl-1-phenylethyl]thiourea
CID 8564027
(1R)-2-morpholin-4-yl-1-phenylethanamine
CID 6927910
4-[(2S)-2-phenylpropyl]morpholine
CID 757569
4-methyl-2-(morpholin-4-ylmethyl)-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide
CID 110387457

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-morpholin-4-yl-1-phenylethanamine?
The IUPAC name of (1R)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-morpholin-4-yl-1-phenylethanamine (CID 97333489) is (1R)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-morpholin-4-yl-1-phenylethanamine.
What is the SMILES notation for (1R)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-morpholin-4-yl-1-phenylethanamine?
The canonical SMILES for (1R)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-morpholin-4-yl-1-phenylethanamine is Cc1nc(CN[C@@H](CN2CCOCC2)c2ccccc2)sc1C.
What is the InChIKey of (1R)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-morpholin-4-yl-1-phenylethanamine?
The InChIKey is PJAIMQANLGCUMU-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H25N3OS/c1-14-15(2)23-18(20-14)12-19-17(16-6-4-3-5-7-16)13-21-8-10-22-11-9-21/h3-7,17,19H,8-13H2,1-2H3/t17-/m0/s1.
What are the key properties of (1R)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-morpholin-4-yl-1-phenylethanamine?
(1R)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-morpholin-4-yl-1-phenylethanamine has a molecular weight of 331.49 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-morpholin-4-yl-1-phenylethanamine is sourced from PubChem (CID 97333489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).