1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)urea

C14H21N5OS — CID 94030001

IUPAC1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)urea
SMILESCc1n[nH]c(C)c1NC(=O)NC[C@@H](c1cccs1)N(C)C
InChIInChI=1S/C14H21N5OS/c1-9-13(10(2)18-17-9)16-14(20)15-8-11(19(3)4)12-6-5-7-21-12/h5-7,11H,8H2,1-4H3,(H,17,18)(H2,15,16,20)/t11-/m0/s1
InChIKeyCFILHGZTSFIAIT-NSHDSACASA-N
MW307.42 g/mol
LogP2.51
Rot. Bonds5

About 1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)urea

1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)urea (PubChem CID 94030001) has the molecular formula C14H21N5OS and a molecular weight of 307.42 g/mol. Its IUPAC name is 1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)urea.

Molecular Properties

Compound Name1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)urea
PubChem CID94030001
Molecular FormulaC14H21N5OS
Molecular Weight307.42 g/mol
Exact Mass307.15
IUPAC Name1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)urea
SMILESCc1n[nH]c(C)c1NC(=O)NC[C@@H](c1cccs1)N(C)C
InChIInChI=1S/C14H21N5OS/c1-9-13(10(2)18-17-9)16-14(20)15-8-11(19(3)4)12-6-5-7-21-12/h5-7,11H,8H2,1-4H3,(H,17,18)(H2,15,16,20)/t11-/m0/s1
InChIKeyCFILHGZTSFIAIT-NSHDSACASA-N
XLogP2.51
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)urea with MolForge

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Related Compounds

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 61249897
1-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)urea
CID 94171617
1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 47194289
1-(4-chlorophenyl)-3-[2-(dimethylamino)-2-thiophen-2-ylethyl]urea
CID 18588947
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 51710563
N-(3,5-dimethyl-1H-pyrazol-4-yl)thiophene-2-carboxamide
CID 43399092
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 30531854
1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2,2,2-trifluoroethyl)urea
CID 47134291
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]butanamide
CID 51072640
3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-oxopropanoic acid
CID 62230106
N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 93482434
N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-N'-pyridin-4-yloxamide
CID 30835013

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)urea?
The IUPAC name of 1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)urea (CID 94030001) is 1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)urea.
What is the SMILES notation for 1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)urea?
The canonical SMILES for 1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)urea is Cc1n[nH]c(C)c1NC(=O)NC[C@@H](c1cccs1)N(C)C.
What is the InChIKey of 1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)urea?
The InChIKey is CFILHGZTSFIAIT-NSHDSACASA-N. The full InChI is InChI=1S/C14H21N5OS/c1-9-13(10(2)18-17-9)16-14(20)15-8-11(19(3)4)12-6-5-7-21-12/h5-7,11H,8H2,1-4H3,(H,17,18)(H2,15,16,20)/t11-/m0/s1.
What are the key properties of 1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)urea?
1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)urea has a molecular weight of 307.42 g/mol, XLogP of 2.51, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)urea is sourced from PubChem (CID 94030001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).