methyl N-[1-(2-amino-1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]carbamate

C10H14N4O3S — CID 113402195

IUPACmethyl N-[1-(2-amino-1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]carbamate
SMILESCOC(=O)NC1CCN(C(=O)c2csc(N)n2)C1
InChIInChI=1S/C10H14N4O3S/c1-17-10(16)12-6-2-3-14(4-6)8(15)7-5-18-9(11)13-7/h5-6H,2-4H2,1H3,(H2,11,13)(H,12,16)
InChIKeyKEWUEZDZDOANNE-UHFFFAOYSA-N
MW270.31 g/mol
LogP0.30
Rot. Bonds2

About methyl N-[1-(2-amino-1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]carbamate

methyl N-[1-(2-amino-1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]carbamate (PubChem CID 113402195) has the molecular formula C10H14N4O3S and a molecular weight of 270.31 g/mol. Its IUPAC name is methyl N-[1-(2-amino-1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-(2-amino-1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]carbamate
PubChem CID113402195
Molecular FormulaC10H14N4O3S
Molecular Weight270.31 g/mol
Exact Mass270.08
IUPAC Namemethyl N-[1-(2-amino-1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]carbamate
SMILESCOC(=O)NC1CCN(C(=O)c2csc(N)n2)C1
InChIInChI=1S/C10H14N4O3S/c1-17-10(16)12-6-2-3-14(4-6)8(15)7-5-18-9(11)13-7/h5-6H,2-4H2,1H3,(H2,11,13)(H,12,16)
InChIKeyKEWUEZDZDOANNE-UHFFFAOYSA-N
XLogP0.30
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(2-amino-1,3-thiazole-4-carbonyl)piperidin-4-yl]carbamic acid
CID 134208778
(2-amino-1,3-thiazol-4-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63167267
(2-amino-1,3-thiazol-4-yl)-(3-methoxypiperidin-1-yl)methanone
CID 102957562
(2-amino-1,3-thiazol-4-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63977856
N-[1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]pyrrolidin-3-yl]acetamide
CID 113402246
2-amino-N-[1-(2-methoxyacetyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 62786842
ethyl 1-(2-amino-1,3-thiazole-4-carbonyl)piperidine-4-carboxylate
CID 62788546
benzyl N-[1-(2-propyl-1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]carbamate
CID 74240582
methyl N-[(3S)-1-benzoylpyrrolidin-3-yl]carbamate
CID 124575994
2-amino-N-(1-tert-butylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 62788760
methyl N-[1-(4-cyclopentyloxypyridine-2-carbonyl)pyrrolidin-3-yl]carbamate
CID 166296354
(2-amino-1,3-thiazol-4-yl)-(azepan-1-yl)methanone
CID 62793149

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-(2-amino-1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]carbamate?
The IUPAC name of methyl N-[1-(2-amino-1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]carbamate (CID 113402195) is methyl N-[1-(2-amino-1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]carbamate.
What is the SMILES notation for methyl N-[1-(2-amino-1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]carbamate?
The canonical SMILES for methyl N-[1-(2-amino-1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]carbamate is COC(=O)NC1CCN(C(=O)c2csc(N)n2)C1.
What is the InChIKey of methyl N-[1-(2-amino-1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]carbamate?
The InChIKey is KEWUEZDZDOANNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3S/c1-17-10(16)12-6-2-3-14(4-6)8(15)7-5-18-9(11)13-7/h5-6H,2-4H2,1H3,(H2,11,13)(H,12,16).
What are the key properties of methyl N-[1-(2-amino-1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]carbamate?
methyl N-[1-(2-amino-1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]carbamate has a molecular weight of 270.31 g/mol, XLogP of 0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-(2-amino-1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 113402195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).