5-[[[(1R)-1-cycloheptylethyl]amino]methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine

C16H29N3OS — CID 81388637

IUPAC5-[[[(1R)-1-cycloheptylethyl]amino]methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCOc1nc(N(C)C)sc1CN[C@H](C)C1CCCCCC1
InChIInChI=1S/C16H29N3OS/c1-12(13-9-7-5-6-8-10-13)17-11-14-15(20-4)18-16(21-14)19(2)3/h12-13,17H,5-11H2,1-4H3/t12-/m1/s1
InChIKeyVKRWZRAGRAVUER-GFCCVEGCSA-N
MW311.50 g/mol
LogP3.67
Rot. Bonds6

About 5-[[[(1R)-1-cycloheptylethyl]amino]methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine

5-[[[(1R)-1-cycloheptylethyl]amino]methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine (PubChem CID 81388637) has the molecular formula C16H29N3OS and a molecular weight of 311.50 g/mol. Its IUPAC name is 5-[[[(1R)-1-cycloheptylethyl]amino]methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[[(1R)-1-cycloheptylethyl]amino]methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
PubChem CID81388637
Molecular FormulaC16H29N3OS
Molecular Weight311.50 g/mol
Exact Mass311.20
IUPAC Name5-[[[(1R)-1-cycloheptylethyl]amino]methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCOc1nc(N(C)C)sc1CN[C@H](C)C1CCCCCC1
InChIInChI=1S/C16H29N3OS/c1-12(13-9-7-5-6-8-10-13)17-11-14-15(20-4)18-16(21-14)19(2)3/h12-13,17H,5-11H2,1-4H3/t12-/m1/s1
InChIKeyVKRWZRAGRAVUER-GFCCVEGCSA-N
XLogP3.67
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.50
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[[[(1R)-1-cycloheptylethyl]amino]methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine with MolForge

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Launch Full Analysis

Related Compounds

5-[(dicyclopropylmethylamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
CID 43665172
5-[(cyclopentylmethylamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
CID 43665239
2-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82945684
4-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]cyclohexane-1,4-diamine
CID 62319971
4-methoxy-N,N-dimethyl-5-[[[(1S)-1-phenylethyl]amino]methyl]-1,3-thiazol-2-amine
CID 81351809
4-methoxy-N,N-dimethyl-5-[(octan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 43746141
5-[(2,3-dimethylbutylamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
CID 64569644
5-[[(1,1-dioxothian-3-yl)amino]methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
CID 63923894
[1-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]cyclohexyl]methanol
CID 62520799
4-methoxy-N,N-dimethyl-5-[(oxolan-2-ylmethylamino)methyl]-1,3-thiazol-2-amine
CID 43665141
4-methoxy-N,N-dimethyl-5-[[1-(1H-pyrazol-4-yl)ethylamino]methyl]-1,3-thiazol-2-amine
CID 106209370
4-methoxy-N,N-dimethyl-5-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]-1,3-thiazol-2-amine
CID 79358881

Frequently Asked Questions

What is the IUPAC name of 5-[[[(1R)-1-cycloheptylethyl]amino]methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[[[(1R)-1-cycloheptylethyl]amino]methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine (CID 81388637) is 5-[[[(1R)-1-cycloheptylethyl]amino]methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[[(1R)-1-cycloheptylethyl]amino]methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[[(1R)-1-cycloheptylethyl]amino]methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine is COc1nc(N(C)C)sc1CN[C@H](C)C1CCCCCC1.
What is the InChIKey of 5-[[[(1R)-1-cycloheptylethyl]amino]methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine?
The InChIKey is VKRWZRAGRAVUER-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H29N3OS/c1-12(13-9-7-5-6-8-10-13)17-11-14-15(20-4)18-16(21-14)19(2)3/h12-13,17H,5-11H2,1-4H3/t12-/m1/s1.
What are the key properties of 5-[[[(1R)-1-cycloheptylethyl]amino]methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine?
5-[[[(1R)-1-cycloheptylethyl]amino]methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine has a molecular weight of 311.50 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[(1R)-1-cycloheptylethyl]amino]methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 81388637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).