methyl 5-[[(3R)-3-[(carbamoylamino)methyl]piperidine-1-carbonyl]amino]-3-methyl-1,2-thiazole-4-carboxylate

C14H21N5O4S — CID 51962576

IUPACmethyl 5-[[(3R)-3-[(carbamoylamino)methyl]piperidine-1-carbonyl]amino]-3-methyl-1,2-thiazole-4-carboxylate
SMILESCOC(=O)c1c(C)nsc1NC(=O)N1CCC[C@H](CNC(N)=O)C1
InChIInChI=1S/C14H21N5O4S/c1-8-10(12(20)23-2)11(24-18-8)17-14(22)19-5-3-4-9(7-19)6-16-13(15)21/h9H,3-7H2,1-2H3,(H,17,22)(H3,15,16,21)/t9-/m1/s1
InChIKeyGOPHULANECPPMA-SECBINFHSA-N
MW355.42 g/mol
LogP1.15
Rot. Bonds4

About methyl 5-[[(3R)-3-[(carbamoylamino)methyl]piperidine-1-carbonyl]amino]-3-methyl-1,2-thiazole-4-carboxylate

methyl 5-[[(3R)-3-[(carbamoylamino)methyl]piperidine-1-carbonyl]amino]-3-methyl-1,2-thiazole-4-carboxylate (PubChem CID 51962576) has the molecular formula C14H21N5O4S and a molecular weight of 355.42 g/mol. Its IUPAC name is methyl 5-[[(3R)-3-[(carbamoylamino)methyl]piperidine-1-carbonyl]amino]-3-methyl-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(3R)-3-[(carbamoylamino)methyl]piperidine-1-carbonyl]amino]-3-methyl-1,2-thiazole-4-carboxylate
PubChem CID51962576
Molecular FormulaC14H21N5O4S
Molecular Weight355.42 g/mol
Exact Mass355.13
IUPAC Namemethyl 5-[[(3R)-3-[(carbamoylamino)methyl]piperidine-1-carbonyl]amino]-3-methyl-1,2-thiazole-4-carboxylate
SMILESCOC(=O)c1c(C)nsc1NC(=O)N1CCC[C@H](CNC(N)=O)C1
InChIInChI=1S/C14H21N5O4S/c1-8-10(12(20)23-2)11(24-18-8)17-14(22)19-5-3-4-9(7-19)6-16-13(15)21/h9H,3-7H2,1-2H3,(H,17,22)(H3,15,16,21)/t9-/m1/s1
InChIKeyGOPHULANECPPMA-SECBINFHSA-N
XLogP1.15
TPSA126.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze methyl 5-[[(3R)-3-[(carbamoylamino)methyl]piperidine-1-carbonyl]amino]-3-methyl-1,2-thiazole-4-carboxylate with MolForge

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Related Compounds

methyl 3-methyl-5-[[(3R)-3-methylpyrrolidine-1-carbonyl]amino]-1,2-thiazole-4-carboxylate
CID 95145098
3-[(carbamoylamino)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 47263455
[1-(2-bromo-2-methylpropanoyl)piperidin-3-yl]methylurea
CID 114328264
(3R)-3-[(carbamoylamino)methyl]-N-cyclohexylpiperidine-1-carboxamide
CID 94192168
(3-ethylpiperidin-1-yl)-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone
CID 56812347
methyl 3-methyl-5-[[(2S,6R)-2-methyl-6-phenylmorpholine-4-carbonyl]amino]-1,2-thiazole-4-carboxylate
CID 97002102
methyl 5-[[(2R)-2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]-3-methyl-1,2-thiazole-4-carboxylate
CID 94647532
[1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]methylurea
CID 55142865
tert-butyl N-[[(3R)-1-(1,3,4-thiadiazol-2-ylcarbamoyl)piperidin-3-yl]methyl]carbamate
CID 94780613
[1-(5-aminopyridine-2-carbonyl)piperidin-3-yl]methylurea
CID 81317323
[1-(6-chloropyridazine-3-carbonyl)piperidin-3-yl]methylurea
CID 61053733
methyl 3-amino-5-[(1-methylpiperidin-3-yl)amino]-1,2-thiazole-4-carboxylate
CID 103378458

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(3R)-3-[(carbamoylamino)methyl]piperidine-1-carbonyl]amino]-3-methyl-1,2-thiazole-4-carboxylate?
The IUPAC name of methyl 5-[[(3R)-3-[(carbamoylamino)methyl]piperidine-1-carbonyl]amino]-3-methyl-1,2-thiazole-4-carboxylate (CID 51962576) is methyl 5-[[(3R)-3-[(carbamoylamino)methyl]piperidine-1-carbonyl]amino]-3-methyl-1,2-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-[[(3R)-3-[(carbamoylamino)methyl]piperidine-1-carbonyl]amino]-3-methyl-1,2-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-[[(3R)-3-[(carbamoylamino)methyl]piperidine-1-carbonyl]amino]-3-methyl-1,2-thiazole-4-carboxylate is COC(=O)c1c(C)nsc1NC(=O)N1CCC[C@H](CNC(N)=O)C1.
What is the InChIKey of methyl 5-[[(3R)-3-[(carbamoylamino)methyl]piperidine-1-carbonyl]amino]-3-methyl-1,2-thiazole-4-carboxylate?
The InChIKey is GOPHULANECPPMA-SECBINFHSA-N. The full InChI is InChI=1S/C14H21N5O4S/c1-8-10(12(20)23-2)11(24-18-8)17-14(22)19-5-3-4-9(7-19)6-16-13(15)21/h9H,3-7H2,1-2H3,(H,17,22)(H3,15,16,21)/t9-/m1/s1.
What are the key properties of methyl 5-[[(3R)-3-[(carbamoylamino)methyl]piperidine-1-carbonyl]amino]-3-methyl-1,2-thiazole-4-carboxylate?
methyl 5-[[(3R)-3-[(carbamoylamino)methyl]piperidine-1-carbonyl]amino]-3-methyl-1,2-thiazole-4-carboxylate has a molecular weight of 355.42 g/mol, XLogP of 1.15, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(3R)-3-[(carbamoylamino)methyl]piperidine-1-carbonyl]amino]-3-methyl-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 51962576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).