N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide

C12H21IN4S2 — CID 110032535

IUPACN'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide
SMILESCc1csc(C(C)C/N=C(\N)N2CCSCC2)n1.I
InChIInChI=1S/C12H20N4S2.HI/c1-9(11-15-10(2)8-18-11)7-14-12(13)16-3-5-17-6-4-16;/h8-9H,3-7H2,1-2H3,(H2,13,14);1H
InChIKeyFLEPWEBFLBLDBS-UHFFFAOYSA-N
MW412.37 g/mol
LogP2.54
Rot. Bonds3

About N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide

N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide (PubChem CID 110032535) has the molecular formula C12H21IN4S2 and a molecular weight of 412.37 g/mol. Its IUPAC name is N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide
PubChem CID110032535
Molecular FormulaC12H21IN4S2
Molecular Weight412.37 g/mol
Exact Mass412.03
IUPAC NameN'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide
SMILESCc1csc(C(C)C/N=C(\N)N2CCSCC2)n1.I
InChIInChI=1S/C12H20N4S2.HI/c1-9(11-15-10(2)8-18-11)7-14-12(13)16-3-5-17-6-4-16;/h8-9H,3-7H2,1-2H3,(H2,13,14);1H
InChIKeyFLEPWEBFLBLDBS-UHFFFAOYSA-N
XLogP2.54
TPSA54.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.37
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-1-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-3-propylguanidine
CID 75361686
(2S,6R)-2,6-dimethyl-N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine-4-carboximidamide
CID 136589466
2-ethyl-N'-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109485309
N,2-diethyl-N'-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109485327
N,2-diethyl-N'-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]thiomorpholine-4-carboximidamide
CID 109485328
2-ethyl-N'-methyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109487293
2-ethyl-N'-methyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]thiomorpholine-4-carboximidamide
CID 109487294
N',2,2-trimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109488072
N',2,2-trimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]thiomorpholine-4-carboximidamide
CID 109488073
N-ethyl-2,2-dimethyl-N'-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109488090
N-ethyl-2,2-dimethyl-N'-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]thiomorpholine-4-carboximidamide
CID 109488091
N-ethyl-2,2-dimethyl-N'-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109490032

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide (CID 110032535) is N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide is Cc1csc(C(C)C/N=C(\N)N2CCSCC2)n1.I.
What is the InChIKey of N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide?
The InChIKey is FLEPWEBFLBLDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4S2.HI/c1-9(11-15-10(2)8-18-11)7-14-12(13)16-3-5-17-6-4-16;/h8-9H,3-7H2,1-2H3,(H2,13,14);1H.
What are the key properties of N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide?
N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide has a molecular weight of 412.37 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 110032535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).