(2S)-4-[(1-cyclopropyltetrazol-5-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine

C13H18N6OS — CID 95137834

IUPAC(2S)-4-[(1-cyclopropyltetrazol-5-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
SMILESCc1csc([C@@H]2CN(Cc3nnnn3C3CC3)CCO2)n1
InChIInChI=1S/C13H18N6OS/c1-9-8-21-13(14-9)11-6-18(4-5-20-11)7-12-15-16-17-19(12)10-2-3-10/h8,10-11H,2-7H2,1H3/t11-/m0/s1
InChIKeyXMHNXIIHCQXSJQ-NSHDSACASA-N
MW306.39 g/mol
LogP1.35
Rot. Bonds4

About (2S)-4-[(1-cyclopropyltetrazol-5-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine

(2S)-4-[(1-cyclopropyltetrazol-5-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine (PubChem CID 95137834) has the molecular formula C13H18N6OS and a molecular weight of 306.39 g/mol. Its IUPAC name is (2S)-4-[(1-cyclopropyltetrazol-5-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine.

Molecular Properties

Compound Name(2S)-4-[(1-cyclopropyltetrazol-5-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
PubChem CID95137834
Molecular FormulaC13H18N6OS
Molecular Weight306.39 g/mol
Exact Mass306.13
IUPAC Name(2S)-4-[(1-cyclopropyltetrazol-5-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
SMILESCc1csc([C@@H]2CN(Cc3nnnn3C3CC3)CCO2)n1
InChIInChI=1S/C13H18N6OS/c1-9-8-21-13(14-9)11-6-18(4-5-20-11)7-12-15-16-17-19(12)10-2-3-10/h8,10-11H,2-7H2,1H3/t11-/m0/s1
InChIKeyXMHNXIIHCQXSJQ-NSHDSACASA-N
XLogP1.35
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(2R)-4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 95137763
(2S)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 95137666
4-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 86879147
(2S)-2-(4-methyl-1,3-thiazol-2-yl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 95136032
(1R)-2-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]-1-phenylethanol
CID 95136891
(2R)-4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 95138390
(2R)-2-(4-methyl-1,3-thiazol-2-yl)-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]morpholine
CID 129403672
(2S)-2-(4-methyl-1,3-thiazol-2-yl)-4-[(5-phenyl-1,3-oxazol-2-yl)methyl]morpholine
CID 95138964
(2S)-4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 95136754
(2R)-4-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 100667020
N,N-dimethyl-3-[[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methyl]benzamide
CID 95138708
2-(4-methyl-1,3-thiazol-2-yl)-4-[3-(1,2,4-triazol-1-yl)propyl]morpholine
CID 86772824

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(1-cyclopropyltetrazol-5-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine?
The IUPAC name of (2S)-4-[(1-cyclopropyltetrazol-5-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine (CID 95137834) is (2S)-4-[(1-cyclopropyltetrazol-5-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine.
What is the SMILES notation for (2S)-4-[(1-cyclopropyltetrazol-5-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine?
The canonical SMILES for (2S)-4-[(1-cyclopropyltetrazol-5-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine is Cc1csc([C@@H]2CN(Cc3nnnn3C3CC3)CCO2)n1.
What is the InChIKey of (2S)-4-[(1-cyclopropyltetrazol-5-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine?
The InChIKey is XMHNXIIHCQXSJQ-NSHDSACASA-N. The full InChI is InChI=1S/C13H18N6OS/c1-9-8-21-13(14-9)11-6-18(4-5-20-11)7-12-15-16-17-19(12)10-2-3-10/h8,10-11H,2-7H2,1H3/t11-/m0/s1.
What are the key properties of (2S)-4-[(1-cyclopropyltetrazol-5-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine?
(2S)-4-[(1-cyclopropyltetrazol-5-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine has a molecular weight of 306.39 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(1-cyclopropyltetrazol-5-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine is sourced from PubChem (CID 95137834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).