1-[(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)amino]-3-(3-methylsulfanylpropyl)thiourea

C14H23N5O2S3 — CID 8768556

IUPAC1-[(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)amino]-3-(3-methylsulfanylpropyl)thiourea
SMILESCSCCCNC(=S)NNC(=O)c1sc(N2CCOCC2)nc1C
InChIInChI=1S/C14H23N5O2S3/c1-10-11(24-14(16-10)19-5-7-21-8-6-19)12(20)17-18-13(22)15-4-3-9-23-2/h3-9H2,1-2H3,(H,17,20)(H2,15,18,22)
InChIKeyJDTOYUWBBXCAQJ-UHFFFAOYSA-N
MW389.57 g/mol
LogP1.15
Rot. Bonds6

About 1-[(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)amino]-3-(3-methylsulfanylpropyl)thiourea

1-[(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)amino]-3-(3-methylsulfanylpropyl)thiourea (PubChem CID 8768556) has the molecular formula C14H23N5O2S3 and a molecular weight of 389.57 g/mol. Its IUPAC name is 1-[(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)amino]-3-(3-methylsulfanylpropyl)thiourea.

Molecular Properties

Compound Name1-[(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)amino]-3-(3-methylsulfanylpropyl)thiourea
PubChem CID8768556
Molecular FormulaC14H23N5O2S3
Molecular Weight389.57 g/mol
Exact Mass389.10
IUPAC Name1-[(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)amino]-3-(3-methylsulfanylpropyl)thiourea
SMILESCSCCCNC(=S)NNC(=O)c1sc(N2CCOCC2)nc1C
InChIInChI=1S/C14H23N5O2S3/c1-10-11(24-14(16-10)19-5-7-21-8-6-19)12(20)17-18-13(22)15-4-3-9-23-2/h3-9H2,1-2H3,(H,17,20)(H2,15,18,22)
InChIKeyJDTOYUWBBXCAQJ-UHFFFAOYSA-N
XLogP1.15
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.57
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N,N,4-trimethyl-2-[(2-morpholin-4-ylacetyl)amino]-1,3-thiazole-5-carboxamide
CID 6466262
4-Methyl-2-(morpholin-4-yl)-1,3-thiazole-5-carbohydrazide
CID 2113354
5-[(2,2-dimethylmorpholin-4-yl)carbonyl]-N-ethyl-4-methyl-1,3-thiazol-2-amine
CID 124210356
N,4-dimethyl-2-[(2S)-2-methylmorpholin-4-yl]-1,3-thiazole-5-carboxamide
CID 164634637
2-acetamido-4-methyl-N-[(E)-piperidin-1-ylmethylideneamino]-1,3-thiazole-5-carboxamide
CID 24939060
N-[4-methyl-5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]propanamide
CID 857092
2-acetamido-4-methyl-N-[(E)-morpholin-4-ylmethylideneamino]-1,3-thiazole-5-carboxamide
CID 24939061
4-Methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 69277809
N,4-dimethyl-2-(2-methylmorpholin-4-yl)-1,3-thiazole-5-carboxamide
CID 136539021
N-iodo-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 170237223
4-methyl-2-morpholin-4-yl-N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 171049197
N,N,4-trimethyl-2-[(2-morpholin-4-ium-4-ylacetyl)amino]-1,3-thiazole-5-carboxamide
CID 8059214

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)amino]-3-(3-methylsulfanylpropyl)thiourea?
The IUPAC name of 1-[(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)amino]-3-(3-methylsulfanylpropyl)thiourea (CID 8768556) is 1-[(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)amino]-3-(3-methylsulfanylpropyl)thiourea.
What is the SMILES notation for 1-[(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)amino]-3-(3-methylsulfanylpropyl)thiourea?
The canonical SMILES for 1-[(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)amino]-3-(3-methylsulfanylpropyl)thiourea is CSCCCNC(=S)NNC(=O)c1sc(N2CCOCC2)nc1C.
What is the InChIKey of 1-[(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)amino]-3-(3-methylsulfanylpropyl)thiourea?
The InChIKey is JDTOYUWBBXCAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2S3/c1-10-11(24-14(16-10)19-5-7-21-8-6-19)12(20)17-18-13(22)15-4-3-9-23-2/h3-9H2,1-2H3,(H,17,20)(H2,15,18,22).
What are the key properties of 1-[(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)amino]-3-(3-methylsulfanylpropyl)thiourea?
1-[(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)amino]-3-(3-methylsulfanylpropyl)thiourea has a molecular weight of 389.57 g/mol, XLogP of 1.15, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)amino]-3-(3-methylsulfanylpropyl)thiourea is sourced from PubChem (CID 8768556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).